Geometry & MOs

Info

ID:	50995
PubChem CID:	12013602
Reduced:	O2C9H12 (1)
Stoich.:	A2B9C12 (1)
Weight, g/mol:	166.09938
ΔH_f, kcal/mol:	-73.71
Dipole, Da:	5.55
IP(EA), eV:	-9.88(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-methylcyclohexa-2,5-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1(C=CCC=C1)C(=O)O

DOS

IR

Vibrations