Geometry & MOs

Info

ID:	354319
PubChem CID:	127286445
Reduced:	OF3N4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-211.4
Dipole, Da:	1.88
IP(EA), eV:	-9.68(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NC=CN1CC(F)(F)F)C(=O)NC2CCC3CCCCC3C2

DOS

IR

Vibrations