Geometry & MOs

Info

ID:	26875
PubChem CID:	801051
Reduced:	ClFO3H16C19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	313.131408
ΔH_f, kcal/mol:	-130.04
Dipole, Da:	5.18
IP(EA), eV:	-9.14(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1-cyclopropyl-4-phenyl-4H-pyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1OC)OC(=C(C2=O)C3=C(C=CC=C3Cl)F)C

DOS

IR

Vibrations