Geometry & MOs

Info

ID:	182109
PubChem CID:	76843585
Reduced:	NYC9H9 (1)
Stoich.:	ABC9D9 (1)
Weight, g/mol:	720.291273
ΔH_f, kcal/mol:	107.51
Dipole, Da:	3.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.985594
Charge, e:	-2

Chem-info

IUPAC name:

carbanide;[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;dichlorotitanium

Drug info:

PubChemData

Smile

CC(=C)[N-]C1=CC=CC=[C-]1.[Y]

DOS

IR

Vibrations