Geometry & MOs

Info

ID:	406324
PubChem CID:	135077248
Reduced:	O3C17H20 (1)
Stoich.:	A3B17C20 (1)
Weight, g/mol:	338.13068
ΔH_f, kcal/mol:	-75.55
Dipole, Da:	3.99
IP(EA), eV:	-9.65(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenanthren-9-yl 2-(3-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC(=O)C=C=CCCC1(OCCO1)C2=CC=CC=C2

DOS

IR

Vibrations