Geometry & MOs

Info

ID:

418998

PubChem CID:

135107292

Reduced:

SN7O7C33H45 (1)

Stoich.:

AB7C7D33E45 (1)

Weight, g/mol:

264.195011

ΔHf, kcal/mol:

-277.64

Dipole, Da:

10.36

IP(EA), eV:

 -8.94(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5S)-9-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CC[C@H]1CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)N4C)C

DOS

IR

Vibrations