Geometry & MOs

Info

ID:	176508
PubChem CID:	76061779
Reduced:	NPC6O8H14 (1)
Stoich.:	ABC6D8E14 (1)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-420.83
Dipole, Da:	3.61
IP(EA), eV:	-10.46(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

C(C(COC(=O)C(CO)NP(=O)(O)O)O)O

DOS

IR

Vibrations