Geometry & MOs

Info

ID:	151349
PubChem CID:	53801113
Reduced:	FOSN2C18H21 (1)
Stoich.:	ABCD2E18F21 (1)
Weight, g/mol:	249.092042
ΔH_f, kcal/mol:	-51.93
Dipole, Da:	4.23
IP(EA), eV:	-8.96(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chlorophenyl)-2-ethoxy-6-methyl-3,4-dihydropyridine

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@@H](N1CCNC(=O)C3=CC=C(C=C3)F)C)SC=C2

DOS

IR

Vibrations