Geometry & MOs

Info

ID:	412141
PubChem CID:	135085015
Reduced:	N2C41H43 (1)
Stoich.:	A2B41C43 (1)
Weight, g/mol:	379.237164
ΔH_f, kcal/mol:	106.04
Dipole, Da:	2.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.923599
Charge, e:	0

Chem-info

IUPAC name:

carbanide;1,3-di(propan-2-yl)-2H-imidazol-2-ide;nickel(3+)

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)[N+]2=CN([C@H]([C@@H]2C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC(=C5)C(C)(C)C)C6=CC=CC=C6

DOS

IR

Vibrations