Geometry & MOs

Info

ID:	147542
PubChem CID:	53787198
Reduced:	ClN3O3C27H38 (1)
Stoich.:	AB3C3D27E38 (1)
Weight, g/mol:	365.101171
ΔH_f, kcal/mol:	-166.72
Dipole, Da:	7.43
IP(EA), eV:	-9.41(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(naphthalen-1-ylmethyl)-3,4-dinitrobenzamide

Drug info:

PubChemData

Smile

C1CC(CCC1CNC(=O)O)NCC2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations