Geometry & MOs

Info

ID:	22873
PubChem CID:	599346
Reduced:	C7H10 (2)
Stoich.:	A7B10 (2)
Weight, g/mol:	188.156501
ΔH_f, kcal/mol:	6.02
Dipole, Da:	1.14
IP(EA), eV:	-10.14(1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethynyl-3,5-dimethyladamantane

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)C#C)C

DOS

IR

Vibrations