Geometry & MOs

Info

ID:	19945
PubChem CID:	575587
Reduced:	BrH7C9 (1)
Stoich.:	AB7C9 (1)
Weight, g/mol:	193.97311
ΔH_f, kcal/mol:	68.57
Dipole, Da:	3.13
IP(EA), eV:	-9.16(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-prop-1-ynylbenzene

Drug info:

PubChemData

Smile

CC#CC1=CC=C(C=C1)Br

DOS

IR

Vibrations