Geometry & MOs

Info

ID:	235023
PubChem CID:	92303904
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-105.77
Dipole, Da:	3.59
IP(EA), eV:	-9.41(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (4R)-1-[(2-cyanophenyl)methyl]-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C([C@@H](CC(=O)N1CC2=CC=CC=C2C#N)C3=CC=CC=C3OC)C(=O)OC(C)C

DOS

IR

Vibrations