Geometry & MOs

Info

ID:	123637
PubChem CID:	50857553
Reduced:	N3H15C19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	368.163711
ΔH_f, kcal/mol:	122.05
Dipole, Da:	8.78
IP(EA), eV:	-8.82(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CN1C2=CC=CC=C2)C=NC3=CC=C(C=C3)C#N

DOS

IR

Vibrations