Geometry & MOs

Info

ID:	358188
PubChem CID:	127295733
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-134.36
Dipole, Da:	4.85
IP(EA), eV:	-8.98(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzothiophen-3-ylmethyl)-4-(2-cyclopentylacetyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)CNC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations