Geometry & MOs

Info

ID:	618
PubChem CID:	3092
Reduced:	N3O5H7C8 (1)
Stoich.:	A3B5C7D8 (1)
Weight, g/mol:	225.03857
ΔH_f, kcal/mol:	-33.48
Dipole, Da:	5.18
IP(EA), eV:	-11.28(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3,5-dinitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N

DOS

IR

Vibrations