Geometry & MOs

Info

ID:	395323
PubChem CID:	135025197
Reduced:	O5C19H24 (1)
Stoich.:	A5B19C24 (1)
Weight, g/mol:	306.16198
ΔH_f, kcal/mol:	-205.75
Dipole, Da:	2.91
IP(EA), eV:	-9.97(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,2-dibenzylpent-4-ynoate

Drug info:

PubChemData

Smile

CC1(CCC(CC1C(=O)C2=CC=CC=C2)(C(=O)OC)C(=O)OC)C

DOS

IR

Vibrations