Geometry & MOs

Info

ID:	358146
PubChem CID:	127295691
Reduced:	O2N4C21H38 (1)
Stoich.:	A2B4C21D38 (1)
Weight, g/mol:	375.232205
ΔH_f, kcal/mol:	-132.8
Dipole, Da:	3.44
IP(EA), eV:	-8.87(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[2-(3-fluorophenyl)ethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations