Geometry & MOs

Info

ID:	362590
PubChem CID:	127308347
Reduced:	S2N3O4C17H19 (1)
Stoich.:	A2B3C4D17E19 (1)
Weight, g/mol:	384.146537
ΔH_f, kcal/mol:	-94.39
Dipole, Da:	1.41
IP(EA), eV:	-8.44(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-pyrazol-1-ylphenyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1NC(=O)N3CCOC(C3)C4=NC=CS4)OCCO2

DOS

IR

Vibrations