Geometry & MOs

Info

ID:	224244
PubChem CID:	85340671
Reduced:	OC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	-39.75
Dipole, Da:	2.55
IP(EA), eV:	-9.2(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-7-phenylhepta-2,4,6-trienoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C(OCO2)C3=CC=CC=C3

DOS

IR

Vibrations