Geometry & MOs

Info

ID:	22004
PubChem CID:	594781
Reduced:	C3H4 (4)
Stoich.:	A3B4 (4)
Weight, g/mol:	160.125201
ΔH_f, kcal/mol:	22.04
Dipole, Da:	1.0
IP(EA), eV:	-10.18(1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethynyladamantane

Drug info:

PubChemData

Smile

C#CC12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations