Geometry & MOs

Info

ID:	357905
PubChem CID:	127295405
Reduced:	ClO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-97.24
Dipole, Da:	4.48
IP(EA), eV:	-9.35(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)CC(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations