Geometry & MOs

Info

ID:	249676
PubChem CID:	103091304
Reduced:	ClFOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	252.136159
ΔH_f, kcal/mol:	-85.27
Dipole, Da:	4.13
IP(EA), eV:	-9.45(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-methyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-ol

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC(=C(C=C1)Cl)F)/C)O

DOS

IR

Vibrations