Geometry & MOs

Info

ID:

423254

PubChem CID:

135119175

Reduced:

N3O3C19H25 (2)

Stoich.:

A3B3C19D25 (2)

Weight, g/mol:

392.184841

ΔHf, kcal/mol:

-250.23

Dipole, Da:

7.14

IP(EA), eV:

 -8.86(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

furan-3-yl-[(1S,5R)-9-[(1-phenylpyrazol-4-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)CCCNC(=O)[C@@H](NC(=O)C1)CC3=CC=C(C=C3)O)NC(=O)C4=CN(C5=CC=CC=C54)C)C(C)C

DOS

IR

Vibrations