Geometry & MOs

Info

ID:	397695
PubChem CID:	135030586
Reduced:	O2C17H30 (1)
Stoich.:	A2B17C30 (1)
Weight, g/mol:	292.14633
ΔH_f, kcal/mol:	-149.85
Dipole, Da:	2.41
IP(EA), eV:	-10.18(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(5-phenylpent-1-ynyl)benzoate

Drug info:

PubChemData

Smile

CC1CCC2[C@@](C1CC(=O)OC)(CCCC2(C)C)C

DOS

IR

Vibrations