Geometry & MOs

Info

ID:	170922
PubChem CID:	75301386
Reduced:	O3C27H34 (1)
Stoich.:	A3B27C34 (1)
Weight, g/mol:	280.131074
ΔH_f, kcal/mol:	-105.05
Dipole, Da:	6.02
IP(EA), eV:	-8.75(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxybutan-2-yl 2-ethenyl-4,6-dimethoxybenzoate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C2C(=C1)C(C3C4C2(CCCC4(CO3)C)C)O)OCC5=CC=CC=C5

DOS

IR

Vibrations