Geometry & MOs

Info

ID:	123624
PubChem CID:	50856707
Reduced:	N2O3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-38.93
Dipole, Da:	5.33
IP(EA), eV:	-8.52(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(5-methyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)O)N=CC2=CC=C(N2C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations