Geometry & MOs

Info

ID:	257310
PubChem CID:	103145112
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	23.59
Dipole, Da:	8.59
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethyl-4-nitroaniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations