Geometry & MOs

Info

ID:	126411
PubChem CID:	50964083
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	335.140055
ΔH_f, kcal/mol:	-20.92
Dipole, Da:	3.83
IP(EA), eV:	-8.89(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol

Drug info:

PubChemData

Smile

CCC1C=CCN1C(=O)C2(CCNCC2)OC3=CC4=C(C=C3)N=CC=C4

DOS

IR

Vibrations