Geometry & MOs

Info

ID:	338698
PubChem CID:	127259709
Reduced:	Cl2N3H9C11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	198.115698
ΔH_f, kcal/mol:	67.78
Dipole, Da:	3.33
IP(EA), eV:	-9.03(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-[(Z)-pyrrol-2-ylidenemethyl]aniline

Drug info:

PubChemData

Smile

CC\1=NC=N/C1=C/NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations