Geometry & MOs

Info

ID:	420416
PubChem CID:	135112996
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	407.238434
ΔH_f, kcal/mol:	-83.17
Dipole, Da:	5.85
IP(EA), eV:	-8.95(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(4,4-difluorocyclohexyl)methyl]-3-(pyridin-2-ylmethyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3)OC

DOS

IR

Vibrations