Geometry & MOs

Info

ID:	79959
PubChem CID:	49831827
Reduced:	O2N3C7H9 (1)
Stoich.:	A2B3C7D9 (1)
Weight, g/mol:	251.97859
ΔH_f, kcal/mol:	-16.73
Dipole, Da:	2.2
IP(EA), eV:	-10.46(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-ynyl 2-(4-bromophenyl)acetate

Drug info:

PubChemData

Smile

CC(C)(C)O/C(=C(\C#N)/[N+]#N)/[O-]

DOS

IR

Vibrations