Geometry & MOs

Info

ID:	53448
PubChem CID:	14716055
Reduced:	NC6H6 (2)
Stoich.:	AB6C6 (2)
Weight, g/mol:	306.06193
ΔH_f, kcal/mol:	75.73
Dipole, Da:	1.86
IP(EA), eV:	-8.62(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)adamantan-2-ol

Drug info:

PubChemData

Smile

CN1C(C(C2=CC=CC=C21)C=C)C#N

DOS

IR

Vibrations