Geometry & MOs

Info

ID:	340724
PubChem CID:	127262735
Reduced:	BrNPC27H27 (1)
Stoich.:	ABCD27E27 (1)
Weight, g/mol:	465.216
ΔH_f, kcal/mol:	78.71
Dipole, Da:	16.78
IP(EA), eV:	-5.57(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-aminophenyl)methyl-tricyclohexylphosphanium;bromide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)[P+](CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

DOS

IR

Vibrations