Geometry & MOs

Info

ID:	318924
PubChem CID:	126653747
Reduced:	NF2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	513.302513
ΔH_f, kcal/mol:	-80.04
Dipole, Da:	1.8
IP(EA), eV:	-9.44(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3-cyclopropyloxyazetidin-1-yl)cyclohexyl]methyl]-5-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC(=C)C1CC(=C(F)F)CN1

DOS

IR

Vibrations