Geometry & MOs

Info

ID:	391696
PubChem CID:	135008437
Reduced:	NOC17H23 (1)
Stoich.:	ABC17D23 (1)
Weight, g/mol:	236.08373
ΔH_f, kcal/mol:	-29.52
Dipole, Da:	1.85
IP(EA), eV:	-8.44(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(3-hydroxyphenyl)ethynyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CN(C(=C1)C(C)C)C(C)[C@H](C2=CC=CC=C2)O

DOS

IR

Vibrations