Geometry & MOs

Info

ID:	123613
PubChem CID:	50855619
Reduced:	O4N5C13H13 (1)
Stoich.:	A4B5C13D13 (1)
Weight, g/mol:	322.113984
ΔH_f, kcal/mol:	59.28
Dipole, Da:	9.04
IP(EA), eV:	-8.83(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methoxyphenyl)pyrrol-3-yl]-N-(2-methylsulfanylphenyl)methanimine

Drug info:

PubChemData

Smile

CC1=CC=C(N1C)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations