Geometry & MOs

Info

ID:	148853
PubChem CID:	53788522
Reduced:	O3C17H24 (1)
Stoich.:	A3B17C24 (1)
Weight, g/mol:	158.073165
ΔH_f, kcal/mol:	-131.59
Dipole, Da:	1.37
IP(EA), eV:	-9.08(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethylphenyl)prop-2-ynal

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCCC=COC

DOS

IR

Vibrations