Geometry & MOs

Info

ID:	357883
PubChem CID:	127295383
Reduced:	O2N3C24H37 (1)
Stoich.:	A2B3C24D37 (1)
Weight, g/mol:	391.202655
ΔH_f, kcal/mol:	-102.38
Dipole, Da:	6.67
IP(EA), eV:	-8.84(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=O)C(C)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations