Geometry & MOs

Info

ID:	124386
PubChem CID:	50881115
Reduced:	ClON3C14H22 (1)
Stoich.:	ABC3D14E22 (1)
Weight, g/mol:	281.12949
ΔH_f, kcal/mol:	-59.37
Dipole, Da:	1.92
IP(EA), eV:	-8.07(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=C(C=C(C(=C1)N(CC)CC)N)Cl

DOS

IR

Vibrations