Geometry & MOs

Info

ID:	270029
PubChem CID:	103623126
Reduced:	INO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	281.142722
ΔH_f, kcal/mol:	-102.55
Dipole, Da:	4.93
IP(EA), eV:	-9.24(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxypiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCOC1CCN(CC1)C(=O)C2=C(C=CC(=C2)I)O

DOS

IR

Vibrations