Geometry & MOs

Info

ID:	411906
PubChem CID:	135084760
Reduced:	NO2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	198.104465
ΔH_f, kcal/mol:	-54.59
Dipole, Da:	4.29
IP(EA), eV:	-8.65(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethynyl-4-phenylhex-5-yn-1-ol

Drug info:

PubChemData

Smile

CC1=CC\2=C(C=C1)NC(=O)/C2=C/O

DOS

IR

Vibrations