Geometry & MOs

Info

ID:	413519
PubChem CID:	135086468
Reduced:	NO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	278.167065
ΔH_f, kcal/mol:	-80.37
Dipole, Da:	4.61
IP(EA), eV:	-8.78(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-1-(4-methylphenyl)-1-phenylpent-2-yn-1-ol

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=O)N1C=C=C2CCCCC2

DOS

IR

Vibrations