Geometry & MOs

Info

ID:	172849
PubChem CID:	75560005
Reduced:	IO2N3H18C20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	418.125275
ΔH_f, kcal/mol:	47.11
Dipole, Da:	5.1
IP(EA), eV:	-8.41(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]-2-nitro-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CC1=CC(=CN1C2=CC=CC=C2)C=NNC(=O)C3=CC(=C(C=C3)I)OC

DOS

IR

Vibrations