Geometry & MOs

Info

ID:	147190
PubChem CID:	53786844
Reduced:	SO4N5C11H11 (1)
Stoich.:	AB4C5D11E11 (1)
Weight, g/mol:	432.163632
ΔH_f, kcal/mol:	29.86
Dipole, Da:	6.62
IP(EA), eV:	-9.18(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[3,5-bis(trifluoromethyl)morpholin-4-yl]-2-phenylethanamine

Drug info:

PubChemData

Smile

C1COCCN1C=NC2=NC(=NS2)C3=CC=C(O3)[N+](=O)[O-]

DOS

IR

Vibrations