Geometry & MOs

Info

ID:	348116
PubChem CID:	127273178
Reduced:	NOC5H7 (4)
Stoich.:	ABC5D7 (4)
Weight, g/mol:	382.24811
ΔH_f, kcal/mol:	-147.01
Dipole, Da:	4.04
IP(EA), eV:	-8.59(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylmethyl)-N-[4-(triazol-1-yl)phenyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=NC=C(C=C2)NC(=O)N3CCN(CC3)C(=O)C4CCCO4

DOS

IR

Vibrations