Geometry & MOs

Info

ID:	294637
PubChem CID:	117476058
Reduced:	NSO4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	295.194757
ΔH_f, kcal/mol:	-116.79
Dipole, Da:	9.58
IP(EA), eV:	-9.47(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C2(CCC2)N=C=O)S(=O)(=O)C

DOS

IR

Vibrations