Geometry & MOs

Info

ID:	307902
PubChem CID:	125310681
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	289.09819
ΔH_f, kcal/mol:	-31.61
Dipole, Da:	9.45
IP(EA), eV:	-8.87(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-chlorophenyl)-4H-pyrazol-3-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)CNC(=O)CCN2CN=C3C4=C(C=CC(=C4)C)N=C3C2=O

DOS

IR

Vibrations