Geometry & MOs

Info

ID:	357881
PubChem CID:	127295381
Reduced:	ClO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-97.74
Dipole, Da:	3.44
IP(EA), eV:	-8.96(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(2,4-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1Cl)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations