Geometry & MOs

Info

ID:	48573
PubChem CID:	11108649
Reduced:	O3C7H7 (2)
Stoich.:	A3B7C7 (2)
Weight, g/mol:	278.082205
ΔH_f, kcal/mol:	-206.28
Dipole, Da:	6.81
IP(EA), eV:	-9.41(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(2-phenylmethoxypyrazol-3-yl)butan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)OC1(C(=O)C=C2C=C(OC=C2C1=O)C)C

DOS

IR

Vibrations