Geometry & MOs

Info

ID:	30787
PubChem CID:	841881
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-71.49
Dipole, Da:	5.49
IP(EA), eV:	-9.59(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)[C@H]2C[C@H]2C(=O)O

DOS

IR

Vibrations