Geometry & MOs

Info

ID:	149118
PubChem CID:	53788790
Reduced:	NOC11H15 (2)
Stoich.:	ABC11D15 (2)
Weight, g/mol:	186.140851
ΔH_f, kcal/mol:	-44.52
Dipole, Da:	2.74
IP(EA), eV:	-8.88(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-2-(2-methylpropyl)benzene

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N=NC(=CCC2=C(CCCC2(C)C)C)C

DOS

IR

Vibrations