Geometry & MOs

Info

ID:	358185
PubChem CID:	127295730
Reduced:	ON3C9H15 (2)
Stoich.:	AB3C9D15 (2)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-64.18
Dipole, Da:	5.82
IP(EA), eV:	-9.44(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations