Geometry & MOs

Info

ID:	280062
PubChem CID:	103846644
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	263.072848
ΔH_f, kcal/mol:	-54.68
Dipole, Da:	4.46
IP(EA), eV:	-9.32(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-nitroaniline

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)OC2=C(C=C(C=C2)C)[N+](=O)[O-])O

DOS

IR

Vibrations