Geometry & MOs

Info

ID:	44212
PubChem CID:	10502030
Reduced:	OSN8H16C20 (1)
Stoich.:	ABC8D16E20 (1)
Weight, g/mol:	416.173607
ΔH_f, kcal/mol:	184.34
Dipole, Da:	9.73
IP(EA), eV:	-8.68(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 6-(4-carbamoylphenyl)-2-oxo-4-phenyl-1-prop-2-enyl-3,4-dihydropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C3=NN=NN23)C4NN5C(=NN=C5S4)C6=CC=C(C=C6)OC

DOS

IR

Vibrations