Geometry & MOs

Info

ID:	425959
PubChem CID:	135133625
Reduced:	O4C21H28 (1)
Stoich.:	A4B21C28 (1)
Weight, g/mol:	499.191877
ΔH_f, kcal/mol:	-155.02
Dipole, Da:	1.25
IP(EA), eV:	-9.4(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)pyridin-4-yl]-4-methylphenyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCC12CC(C(=O)C=C2)C(CCCOCC3=CC=CC=C3)O

DOS

IR

Vibrations