Geometry & MOs

Info

ID:	295805
PubChem CID:	117544385
Reduced:	FNO4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	252.139326
ΔH_f, kcal/mol:	-188.58
Dipole, Da:	5.72
IP(EA), eV:	-9.45(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2C(CC(=O)N2)C(=O)O)F

DOS

IR

Vibrations