Geometry & MOs

Info

ID:	24589
PubChem CID:	611240
Reduced:	OC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	270.16198
ΔH_f, kcal/mol:	-56.13
Dipole, Da:	6.7
IP(EA), eV:	-8.12(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)CCC(=O)O

DOS

IR

Vibrations