Geometry & MOs

Info

ID:	427400
PubChem CID:	135158345
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	357.155121
ΔH_f, kcal/mol:	-24.06
Dipole, Da:	3.72
IP(EA), eV:	-8.4(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(2E)-4-(2-methylphenyl)sulfanyl-1-phenylpenta-2,4-dienylidene]pyridine

Drug info:

PubChemData

Smile

CCOCCNC(=O)/C(=C/C1=CC=C(C=C1)N(C)C)/C#N

DOS

IR

Vibrations