Geometry & MOs

Info

ID:	173488
PubChem CID:	75643757
Reduced:	O2S2N5H14C15 (1)
Stoich.:	A2B2C5D14E15 (1)
Weight, g/mol:	277.170474
ΔH_f, kcal/mol:	46.65
Dipole, Da:	5.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.107602
Charge, e:	1

Chem-info

IUPAC name:

1,6,6-trimethyl-4,4-diphenyl-2-aza-3-azoniabicyclo[3.1.0]hex-2-ene

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=N2)[O-]

DOS

IR

Vibrations