Geometry & MOs

Info

ID:	354429
PubChem CID:	127286873
Reduced:	ClO2N3C21H32 (1)
Stoich.:	AB2C3D21E32 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-101.89
Dipole, Da:	2.5
IP(EA), eV:	-8.56(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC(C1)CNC(=O)NCC2(CCOCC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations