Geometry & MOs

Info

ID:	357923
PubChem CID:	127295423
Reduced:	O2N3C22H39 (1)
Stoich.:	A2B3C22D39 (1)
Weight, g/mol:	392.197904
ΔH_f, kcal/mol:	-139.23
Dipole, Da:	5.04
IP(EA), eV:	-9.0(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloropyridin-2-yl)-2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)C(C)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations