Geometry & MOs

Info

ID:	293099
PubChem CID:	117373914
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-131.99
Dipole, Da:	5.43
IP(EA), eV:	-9.59(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-(2-methyl-3,4-dihydro-2H-chromen-8-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=C(C=C1)C2CCOC2)C(=O)O

DOS

IR

Vibrations