Geometry & MOs

Info

ID:	358141
PubChem CID:	127295686
Reduced:	O2N3C20H35 (1)
Stoich.:	A2B3C20D35 (1)
Weight, g/mol:	391.202655
ΔH_f, kcal/mol:	-138.11
Dipole, Da:	5.23
IP(EA), eV:	-9.32(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations