Geometry & MOs

Info

ID:	358247
PubChem CID:	127295792
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	391.202655
ΔH_f, kcal/mol:	-76.01
Dipole, Da:	5.63
IP(EA), eV:	-8.71(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)NC3CC(=O)N(C3)C4=CC=CC=C4

DOS

IR

Vibrations