Geometry & MOs

Info

ID:	180693
PubChem CID:	76669947
Reduced:	BIrN4H18C19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	370.146999
ΔH_f, kcal/mol:	209.28
Dipole, Da:	30.58
IP(EA), eV:	-9.23(-5.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-(2-phenylethenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene

Drug info:

PubChemData

Smile

[B]1N(C2=CC=CC=C2N1C(C)C)C3=NC=CC(=C3)C4=CC=NC=C4.[Ir]

DOS

IR

Vibrations