Geometry & MOs

Info

ID:	123598
PubChem CID:	50855047
Reduced:	ON3H19C22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	382.179361
ΔH_f, kcal/mol:	60.01
Dipole, Da:	5.12
IP(EA), eV:	-8.68(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)/C(=C/C2=CN(C=C2)C3=CC=CC=C3)/C#N)C

DOS

IR

Vibrations