Geometry & MOs

Info

ID:	413470
PubChem CID:	135086419
Reduced:	IN2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	69.05
Dipole, Da:	7.33
IP(EA), eV:	-8.13(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-1,6-dihydroxy-7-phenylmethoxyhept-3-yn-2-one

Drug info:

PubChemData

Smile

CC(C)(C)N/C=C/1\C(=C2C=CC=CC2=N1)I

DOS

IR

Vibrations