Geometry & MOs

Info

ID:	319284
PubChem CID:	126655535
Reduced:	ON4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	30.56
Dipole, Da:	5.3
IP(EA), eV:	-8.55(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(1-benzylpyrazol-3-yl)-3,4-dimethoxypiperidine

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)C2=NN(C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations