Geometry & MOs

Info

ID:	388095
PubChem CID:	134988158
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-89.7
Dipole, Da:	1.51
IP(EA), eV:	-9.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohex-2-en-1-yl-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C(=O)C(=O)N(C)C1=CC=CC=C1

DOS

IR

Vibrations