Geometry & MOs

Info

ID:	378236
PubChem CID:	134224312
Reduced:	ClO3F4C33H35 (1)
Stoich.:	AB3C4D33E35 (1)
Weight, g/mol:	339.138992
ΔH_f, kcal/mol:	-303.01
Dipole, Da:	2.86
IP(EA), eV:	-9.45(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-6-[(2-methylcyclobutyl)methyl]phenyl]-2-(2-methylpyridin-3-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC[C@@H](C)C(CCC1=C(C=C(C=C1)C(=O)OC(C)C)F)CC2=CC=CC=C2C(=C)OC3=C(C=CC=C3Cl)C(F)(F)F

DOS

IR

Vibrations