Geometry & MOs

Info

ID:

421016

PubChem CID:

135115240

Reduced:

FN6O7C36H49 (1)

Stoich.:

AB6C7D36E49 (1)

Weight, g/mol:

368.23246

ΔHf, kcal/mol:

-352.87

Dipole, Da:

3.81

IP(EA), eV:

 -8.93(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(1S,5S,6R,7R)-3-(6-methylpyridazin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)CCC(=O)NC3=CC(=CC=C3)F)C(C)C

DOS

IR

Vibrations