Geometry & MOs

Info

ID:	257305
PubChem CID:	103145083
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	339.98811
ΔH_f, kcal/mol:	20.16
Dipole, Da:	8.21
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NCC2=C(N(N=C2C)C)C

DOS

IR

Vibrations