Geometry & MOs

Info

ID:	439283
PubChem CID:	135229050
Reduced:	O5N8H20C27 (1)
Stoich.:	A5B8C20D27 (1)
Weight, g/mol:	375.140135
ΔH_f, kcal/mol:	-12.59
Dipole, Da:	10.46
IP(EA), eV:	-9.01(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(1Z)-3-[(3-chloro-4-fluorophenyl)methoxy]buta-1,3-dienyl]-2,6-dimethylpyridin-3-yl]propan-2-ol

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)N2C(=CC(=O)N2)NC(=O)NC3=CC=C(C4=CC=CC=C43)OC5=C6C(=NC=C5)NC(=O)C=N6

DOS

IR

Vibrations