Geometry & MOs

Info

ID:	20173
PubChem CID:	581765
Reduced:	OC6H6 (2)
Stoich.:	AB6C6 (2)
Weight, g/mol:	188.08373
ΔH_f, kcal/mol:	-22.76
Dipole, Da:	2.79
IP(EA), eV:	-9.62(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylbut-2-ynyl acetate

Drug info:

PubChemData

Smile

CC#CC(C1=CC=CC=C1)OC(=O)C

DOS

IR

Vibrations