Geometry & MOs

Info

ID:	330392
PubChem CID:	127247379
Reduced:	S2O3N4C14H18 (1)
Stoich.:	A2B3C4D14E18 (1)
Weight, g/mol:	244.168797
ΔH_f, kcal/mol:	-67.89
Dipole, Da:	7.21
IP(EA), eV:	-9.94(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-methylpyrrol-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCCCC2C3=C(C=NN3)S(=O)(=O)C

DOS

IR

Vibrations