Geometry & MOs

Info

ID:	245769
PubChem CID:	103023885
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	342.03678
ΔH_f, kcal/mol:	-102.11
Dipole, Da:	6.25
IP(EA), eV:	-9.49(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)CC2CCS(=O)(=O)C2

DOS

IR

Vibrations