Geometry & MOs

Info

ID:	358133
PubChem CID:	127295678
Reduced:	ClN2O4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	393.222784
ΔH_f, kcal/mol:	-162.44
Dipole, Da:	3.28
IP(EA), eV:	-9.04(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

DOS

IR

Vibrations