Geometry & MOs

Info

ID:	214215
PubChem CID:	84974654
Reduced:	ClO2N3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	311.140055
ΔH_f, kcal/mol:	-74.19
Dipole, Da:	4.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757322
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide

Drug info:

PubChemData

Smile

CCCNC(=O)C[NH+](C)C(C)C(=O)NC1=CC(=CC=C1)Cl

DOS

IR

Vibrations