Geometry & MOs

Info

ID:	224936
PubChem CID:	85731218
Reduced:	NSC2O4H5 (1)
Stoich.:	ABC2D4E5 (1)
Weight, g/mol:	412.170627
ΔH_f, kcal/mol:	-125.71
Dipole, Da:	5.63
IP(EA), eV:	-10.92(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-chlorophenyl)-3-(4-cyclohexylphenyl)-1H-pyrrol-2-yl]pyridine

Drug info:

PubChemData

Smile

CC=NOS(=O)(=O)O

DOS

IR

Vibrations