Geometry & MOs

Info

ID:	221411
PubChem CID:	85272557
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-80.46
Dipole, Da:	3.21
IP(EA), eV:	-9.43(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-benzyl-2,4-dimethylpent-4-enoate

Drug info:

PubChemData

Smile

CC1=CC2(CC3(C1C4C2C=CC4=O)OCCO3)C

DOS

IR

Vibrations