Geometry & MOs

Info

ID:	959
PubChem CID:	3585
Reduced:	NO2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	414.251858
ΔH_f, kcal/mol:	-42.45
Dipole, Da:	0.38
IP(EA), eV:	-4.51(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol

Drug info:

PubChemData

Smile

C[N+]1(CCOC(C1)(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(C[N+](CCO4)(C)C)O)O)C

DOS

IR

Vibrations