Geometry & MOs

Info

ID:	333495
PubChem CID:	127252047
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	-38.23
Dipole, Da:	7.11
IP(EA), eV:	-9.09(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-4-yl)-[2-[6-(1-methylpyrazol-4-yl)pyridin-3-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C(=O)N2CCCCC2C3=CN=C(C=C3)C4=CNN=C4

DOS

IR

Vibrations