Geometry & MOs

Info

ID:	4137
PubChem CID:	10821
Reduced:	H3C4 (2)
Stoich.:	A3B4 (2)
Weight, g/mol:	102.04695
ΔH_f, kcal/mol:	78.38
Dipole, Da:	0.6
IP(EA), eV:	-9.38(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethynylbenzene

Drug info:

PubChemData

Smile

C#CC1=CC=CC=C1

DOS

IR

Vibrations