Geometry & MOs

Info

ID:	74020
PubChem CID:	48421361
Reduced:	ClN3O4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	-100.12
Dipole, Da:	9.3
IP(EA), eV:	-9.52(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[[ethyl(2-hydroxypropyl)carbamoyl]amino]methyl]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CCN(CC(C)O)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations