Geometry & MOs

Info

ID:	200190
PubChem CID:	79360669
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-81.14
Dipole, Da:	2.79
IP(EA), eV:	-9.19(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-nitro-5-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC1(C(C1(C)C)CNC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)C

DOS

IR

Vibrations