Geometry & MOs

Info

ID:	123639
PubChem CID:	50857555
Reduced:	N3H17C18 (1)
Stoich.:	A3B17C18 (1)
Weight, g/mol:	396.195011
ΔH_f, kcal/mol:	101.26
Dipole, Da:	5.69
IP(EA), eV:	-7.99(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CN1C2=CC=CC=C2)/C=N\NC3=CC=CC=C3

DOS

IR

Vibrations