Geometry & MOs

Info

ID:	47977
PubChem CID:	10536102
Reduced:	N2O2H10C11 (1)
Stoich.:	A2B2C10D11 (1)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	-13.02
Dipole, Da:	3.4
IP(EA), eV:	-9.23(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-phenylpent-4-ynoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)/C(=C\NCC(=O)O)/C=N2

DOS

IR

Vibrations