Geometry & MOs

Info

ID:	225270
PubChem CID:	85753021
Reduced:	O3N4C9H16 (1)
Stoich.:	A3B4C9D16 (1)
Weight, g/mol:	541.315186
ΔH_f, kcal/mol:	-30.13
Dipole, Da:	2.72
IP(EA), eV:	-9.85(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)hexadecyl]-3,5-dinitrobenzamide

Drug info:

PubChemData

Smile

C#CCN(NC=NCCCC(C(=O)O)N)O

DOS

IR

Vibrations