Geometry & MOs

Info

ID:	123616
PubChem CID:	50855871
Reduced:	SO3N4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	260.131349
ΔH_f, kcal/mol:	57.15
Dipole, Da:	8.77
IP(EA), eV:	-8.7(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-1-phenylpyrrol-2-yl)-N-phenylmethanimine

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=CC=C2)/C=N/NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations