Geometry & MOs

Info

ID:	305487
PubChem CID:	124956427
Reduced:	SO3N4C16H24 (1)
Stoich.:	AB3C4D16E24 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-108.93
Dipole, Da:	4.25
IP(EA), eV:	-9.53(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine

Drug info:

PubChemData

Smile

CC(=O)NCC1=NC=CC(=C1)[C@H]2CCCN2S(=O)(=O)N3CCCC3

DOS

IR

Vibrations