Geometry & MOs

Info

ID:	393143
PubChem CID:	135019536
Reduced:	BrNZnC20H23 (1)
Stoich.:	ABCD20E23 (1)
Weight, g/mol:	420.03053
ΔH_f, kcal/mol:	-77.75
Dipole, Da:	4.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.516406
Charge, e:	1

Chem-info

IUPAC name:

1-benzhydryl-2-ethyl-3,4,5,6-tetrahydro-2H-pyridin-4-ylium-6-ide;bromozinc(1+)

Drug info:

PubChemData

Smile

CC[C@H](CC=C)[N+](=[CH-])C(C1=CC=CC=C1)C2=CC=CC=C2.[Zn+]Br

DOS

IR

Vibrations