Geometry & MOs

Info

ID:	214201
PubChem CID:	84974608
Reduced:	ClO2N3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	352.17467
ΔH_f, kcal/mol:	-73.56
Dipole, Da:	5.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759293
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-4-nitrophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations