Geometry & MOs

Info

ID:	358382
PubChem CID:	127295927
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	397.222623
ΔH_f, kcal/mol:	-95.39
Dipole, Da:	4.23
IP(EA), eV:	-8.52(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[4-(tetrazol-1-yl)phenyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations