Geometry & MOs

Info

ID:	217087
PubChem CID:	85087226
Reduced:	OC11H17 (2)
Stoich.:	AB11C17 (2)
Weight, g/mol:	330.25588
ΔH_f, kcal/mol:	-42.07
Dipole, Da:	7.51
IP(EA), eV:	-8.69(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-1-phenylmethoxytridec-5-yn-3-ol

Drug info:

PubChemData

Smile

CCC(=CCC(C)C1(CCCC2(C1CC=C(C2C=O)C=O)C)C)C

DOS

IR

Vibrations