Geometry & MOs

Info

ID:	394055
PubChem CID:	135022248
Reduced:	ClNO5C15H16 (1)
Stoich.:	ABC5D15E16 (1)
Weight, g/mol:	298.076057
ΔH_f, kcal/mol:	-178.13
Dipole, Da:	1.81
IP(EA), eV:	-9.91(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-chlorophenyl)-5-phenylpent-4-ynoate

Drug info:

PubChemData

Smile

COC(=O)C(/C(=C\C1=CC=CC=C1)/C(=O)OC)NC(=O)CCl

DOS

IR

Vibrations