Geometry & MOs

Info

ID:	284473
PubChem CID:	104048933
Reduced:	FNC17H20 (1)
Stoich.:	ABC17D20 (1)
Weight, g/mol:	299.209658
ΔH_f, kcal/mol:	-37.38
Dipole, Da:	2.73
IP(EA), eV:	-9.03(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,2-dimethyl-3-oxo-4-(3-propoxypiperidin-1-yl)butanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2=C(C=CC(=C2)C(C)N)F)C

DOS

IR

Vibrations