Geometry & MOs

Info

ID:	411782
PubChem CID:	135084627
Reduced:	NiO2P2N3C53H59 (1)
Stoich.:	AB2C2D3E53F59 (1)
Weight, g/mol:	343.112601
ΔH_f, kcal/mol:	250.07
Dipole, Da:	27.6
IP(EA), eV:	-4.59(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methoxyisoquinolin-3-yl)-diphenylphosphane

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=[N+](C(=CC=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C.COC1=[NH+]C(=CC2=CC=CC=C21)[PH+](C3=CC=CC=C3)C4=CC=CC=C4.C1CC=CCCC=C1.[Ni]

DOS

IR

Vibrations