Geometry & MOs

Info

ID:	404680
PubChem CID:	135069283
Reduced:	NOSCl2H9C10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	361.240565
ΔH_f, kcal/mol:	-12.86
Dipole, Da:	8.73
IP(EA), eV:	-9.38(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-6-methyl-4-phenyl-2,3-dipropyl-2H-pyridine

Drug info:

PubChemData

Smile

CS(=C(C#N)C1=C(C=CC=C1Cl)Cl)(=O)C

DOS

IR

Vibrations