Geometry & MOs

Info

ID:	257311
PubChem CID:	103145116
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	339.98811
ΔH_f, kcal/mol:	-40.39
Dipole, Da:	9.21
IP(EA), eV:	-8.75(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-3-yl)methyl]-2,5-dimethyl-4-nitroaniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations