Geometry & MOs

Info

ID:	357898
PubChem CID:	127295398
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	391.202655
ΔH_f, kcal/mol:	-91.55
Dipole, Da:	4.27
IP(EA), eV:	-8.56(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations