Geometry & MOs

Info

ID:	54055
PubChem CID:	14719817
Reduced:	BrNSCl2O4H8C14 (1)
Stoich.:	ABCD2E4F8G14 (1)
Weight, g/mol:	310.027583
ΔH_f, kcal/mol:	-96.33
Dipole, Da:	4.6
IP(EA), eV:	-9.62(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dichloro-4-hydroxy-5-prop-2-enylphenyl)-(2-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

COC(=O)C1CC2=CC(=C(C(=C2O1)Cl)Cl)C(=O)C3=CN=C(S3)Br

DOS

IR

Vibrations