Geometry & MOs

Info

ID:	438678
PubChem CID:	135228428
Reduced:	OI3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	32.79
Dipole, Da:	4.11
IP(EA), eV:	-9.34(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(hydroxymethyl)-2-methoxy-5-prop-1-en-2-ylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=CC(=CC(=C2)I)I)I)CC(C)C

DOS

IR

Vibrations