Geometry & MOs

Info

ID:	149871
PubChem CID:	53789550
Reduced:	N3O3H13C14 (1)
Stoich.:	A3B3C13D14 (1)
Weight, g/mol:	451.215887
ΔH_f, kcal/mol:	-49.46
Dipole, Da:	5.6
IP(EA), eV:	-9.05(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 6-benzyl-4-(4-fluorophenyl)-2-propan-2-yl-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC=C2C(=N1)C3=C(N2)C=C(C=C3)OC

DOS

IR

Vibrations