Geometry & MOs

Info

ID:	360405
PubChem CID:	127301050
Reduced:	SO3N4C16H26 (1)
Stoich.:	AB3C4D16E26 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-101.67
Dipole, Da:	6.25
IP(EA), eV:	-9.38(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)CN(C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations