Geometry & MOs

Info

ID:	336409
PubChem CID:	127255416
Reduced:	ClON2C7H17 (1)
Stoich.:	ABC2D7E17 (1)
Weight, g/mol:	255.98876
ΔH_f, kcal/mol:	-78.97
Dipole, Da:	1.31
IP(EA), eV:	-8.85(1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromoethynyl)-4-phenylbenzene

Drug info:

PubChemData

Smile

CN(C)C[C@H]1CNCCO1.Cl

DOS

IR

Vibrations