Geometry & MOs

Info

ID:	383169
PubChem CID:	134974741
Reduced:	PN2O6C20H31 (1)
Stoich.:	AB2C6D20E31 (1)
Weight, g/mol:	443.180287
ΔH_f, kcal/mol:	-321.54
Dipole, Da:	3.69
IP(EA), eV:	-8.62(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-isoquinolin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphane

Drug info:

PubChemData

Smile

CN[C@H]1CC23CCC(C(C2)C(C(N3C1)CC4=CC=C(C=C4)OC)O)OP(=O)(O)O

DOS

IR

Vibrations