Geometry & MOs

Info

ID:	444519
PubChem CID:	135262717
Reduced:	OC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	272.17763
ΔH_f, kcal/mol:	-74.17
Dipole, Da:	4.84
IP(EA), eV:	-9.52(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-benzylidene-2-methyldec-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCC/C(=C\C1=CC=CC=C1)/C=C(\C)/C(=O)O

DOS

IR

Vibrations