Geometry & MOs

Info

ID:	257296
PubChem CID:	103145017
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	324.01095
ΔH_f, kcal/mol:	-12.4
Dipole, Da:	10.72
IP(EA), eV:	-8.7(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC2CC3CCC(C2)N3C

DOS

IR

Vibrations