Geometry & MOs

Info

ID:	257286
PubChem CID:	103144926
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	14.29
Dipole, Da:	9.19
IP(EA), eV:	-8.76(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-imidazol-2-ylmethyl)-2,5-dimethyl-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(C)C2CC3CC2C=C3

DOS

IR

Vibrations