Geometry & MOs

Info

ID:	48393
PubChem CID:	10544220
Reduced:	ClFO3N5H11C12 (1)
Stoich.:	ABC3D5E11F12 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-95.89
Dipole, Da:	0.41
IP(EA), eV:	-9.2(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-methoxypyridin-3-yl)-2-(3,4,5-trimethoxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@@H](/C(=C/F)/O[C@H]1N2C=NC3=C(N=CN=C32)N)Cl

DOS

IR

Vibrations