Geometry & MOs

Info

ID:	330293
PubChem CID:	127247280
Reduced:	O3N5C15H21 (1)
Stoich.:	A3B5C15D21 (1)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	-102.55
Dipole, Da:	5.97
IP(EA), eV:	-9.74(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)N2CCCCC2C3=CC=NN3)C

DOS

IR

Vibrations