Geometry & MOs

Info

ID:	399169
PubChem CID:	135038421
Reduced:	NO4C11H21 (1)
Stoich.:	AB4C11D21 (1)
Weight, g/mol:	174.140851
ΔH_f, kcal/mol:	-185.1
Dipole, Da:	3.89
IP(EA), eV:	-9.82(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethynyl-2-[(E)-2-methylbut-1-enyl]cyclohexene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCC1(CO1)CO

DOS

IR

Vibrations