Geometry & MOs

Info

ID:	46912
PubChem CID:	10528317
Reduced:	N3C21H26 (1)
Stoich.:	A3B21C26 (1)
Weight, g/mol:	469.2283
ΔH_f, kcal/mol:	51.5
Dipole, Da:	1.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757491
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-1,3-dimethyl-4,5-dinaphthalen-1-yl-2-piperidin-1-yl-1,3,2lambda5-diazaphospholidine 2-oxide

Drug info:

PubChemData

Smile

C1C[C@@H]([N+]2=C(N[C@H](C[C@H]21)C3=CC=CC=C3)N)CCC4=CC=CC=C4

DOS

IR

Vibrations