Geometry & MOs

Info

ID:	214212
PubChem CID:	84974649
Reduced:	N4O5C16H25 (1)
Stoich.:	A4B5C16D25 (1)
Weight, g/mol:	352.17467
ΔH_f, kcal/mol:	-107.89
Dipole, Da:	7.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764536
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide

Drug info:

PubChemData

Smile

CCCNC(=O)C[NH+](C)C(C)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC

DOS

IR

Vibrations