Geometry & MOs

Info

ID:	346461
PubChem CID:	127270965
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	378.145868
ΔH_f, kcal/mol:	-85.19
Dipole, Da:	7.81
IP(EA), eV:	-8.88(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-4-(6-oxopiperidine-3-carbonyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)Cl)C(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations