Geometry & MOs

Info

ID:	401382
PubChem CID:	135051106
Reduced:	BrNC17H20 (1)
Stoich.:	ABC17D20 (1)
Weight, g/mol:	473.950574
ΔH_f, kcal/mol:	35.99
Dipole, Da:	12.51
IP(EA), eV:	-7.84(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C[N+]2(CC3=CC=CC=C3C2)C.[Br-]

DOS

IR

Vibrations