Geometry & MOs

Info

ID:	123636
PubChem CID:	50857400
Reduced:	N3O4H19C23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	285.126598
ΔH_f, kcal/mol:	-77.33
Dipole, Da:	9.77
IP(EA), eV:	-8.67(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CN1C2=CC=CC=C2)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations