Geometry & MOs

Info

ID:	368100
PubChem CID:	127327476
Reduced:	O2N7C15H19 (1)
Stoich.:	A2B7C15D19 (1)
Weight, g/mol:	375.172896
ΔH_f, kcal/mol:	-10.5
Dipole, Da:	5.07
IP(EA), eV:	-8.77(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-1-ylsulfonylpyridine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C3=NC4=C(N3C)C(=O)NC(=O)N4C

DOS

IR

Vibrations