Geometry & MOs

Info

ID:	257283
PubChem CID:	103144915
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	-32.44
Dipole, Da:	8.66
IP(EA), eV:	-8.81(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-4-nitroaniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations