Geometry & MOs

Info

ID:	416656
PubChem CID:	135089963
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	355.194757
ΔH_f, kcal/mol:	-55.48
Dipole, Da:	7.72
IP(EA), eV:	-9.35(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-fluoro-4-methylphenyl)methyl]phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)C3=CC=CC(=C3)C#N)O

DOS

IR

Vibrations