Geometry & MOs

Info

ID:	388114
PubChem CID:	134988197
Reduced:	IO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	-121.33
Dipole, Da:	6.29
IP(EA), eV:	-9.7(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-4-methylpent-2-ynoic acid

Drug info:

PubChemData

Smile

CCCCCC(CCC(C)I)C(=O)O

DOS

IR

Vibrations