Geometry & MOs

Info

ID:	194634
PubChem CID:	78566762
Reduced:	SO4H16C17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	360.147393
ΔH_f, kcal/mol:	-112.22
Dipole, Da:	4.25
IP(EA), eV:	-8.62(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenacyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)OC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations