Geometry & MOs

Info

ID:	413279
PubChem CID:	135086226
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	184.088815
ΔH_f, kcal/mol:	-117.03
Dipole, Da:	2.36
IP(EA), eV:	-8.67(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-(2-ethynylphenyl)pent-3-en-2-one

Drug info:

PubChemData

Smile

CC1(OC[C@@H]([C@@H](O1)C2=CC=C(C=C2)OC)N)C

DOS

IR

Vibrations