Geometry & MOs

Info

ID:	144324
PubChem CID:	53350843
Reduced:	ClON2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	396.149534
ΔH_f, kcal/mol:	54.39
Dipole, Da:	5.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750026
Charge, e:	-1

Chem-info

IUPAC name:

N-benzyl-1-di(propan-2-yloxy)phosphoryl-1-phenylmethanamine;chloride

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CC3=CC=C(C=C3)OC.[Cl-]

DOS

IR

Vibrations