Geometry & MOs

Info

ID:	151265
PubChem CID:	53790965
Reduced:	OC12H16 (2)
Stoich.:	AB12C16 (2)
Weight, g/mol:	313.106256
ΔH_f, kcal/mol:	-94.97
Dipole, Da:	5.41
IP(EA), eV:	-9.45(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-cyano-2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4=COC(=O)C=C4)CCC5[C@@]3(CC=CC5)C

DOS

IR

Vibrations