Geometry & MOs

Info

ID:	234845
PubChem CID:	92303596
Reduced:	N2O3C26H26 (1)
Stoich.:	A2B3C26D26 (1)
Weight, g/mol:	414.194343
ΔH_f, kcal/mol:	-53.58
Dipole, Da:	5.48
IP(EA), eV:	-8.9(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (4R)-1-[(3-cyanophenyl)methyl]-4-(2,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H]2CC(=O)N(C(=C2C(=O)OCC=C)C)CC3=CC(=CC=C3)C#N)C

DOS

IR

Vibrations