Geometry & MOs

Info

ID:	218297
PubChem CID:	85089142
Reduced:	FIO3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	446.147786
ΔH_f, kcal/mol:	-171.68
Dipole, Da:	5.81
IP(EA), eV:	-8.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-methyl 3-O-(3-phenylprop-2-enyl) 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CC(C2O)I)CCC4=CC(=C(C=C34)F)O)OC

DOS

IR

Vibrations