Geometry & MOs

Info

ID:	411662
PubChem CID:	135084496
Reduced:	NOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	224.156501
ΔH_f, kcal/mol:	-16.87
Dipole, Da:	2.73
IP(EA), eV:	-10.21(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-methyl-1,3-bis(prop-1-ynyl)benzene

Drug info:

PubChemData

Smile

C=CCCC(=O)CCCC#N

DOS

IR

Vibrations