Geometry & MOs

Info

ID:	408541
PubChem CID:	135081307
Reduced:	N6H38C39 (1)
Stoich.:	A6B38C39 (1)
Weight, g/mol:	702.175132
ΔH_f, kcal/mol:	171.38
Dipole, Da:	6.07
IP(EA), eV:	-8.57(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzene;(Z)-2-diphenylphosphanyl-1-phenylethenol;nickel;triphenylphosphanium

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N=C(C)C2CC=CC(=N2)C3=NC4=CC=CC=C4N=C(C3)C5=NC(=CC=C5)C(=NC6=C(C=CC=C6C)C)C

DOS

IR

Vibrations