Geometry & MOs

Info

ID:	217691
PubChem CID:	85088227
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	392.07624
ΔH_f, kcal/mol:	-151.86
Dipole, Da:	3.98
IP(EA), eV:	-8.68(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-bromophenyl)-1-methylidene-4,5-diphenyltriazolidin-1-ium

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(C(CC(C)C)O)O)N

DOS

IR

Vibrations