Geometry & MOs

Info

ID:	222617
PubChem CID:	85305630
Reduced:	N4O7C16H22 (1)
Stoich.:	A4B7C16D22 (1)
Weight, g/mol:	382.150427
ΔH_f, kcal/mol:	-284.92
Dipole, Da:	3.74
IP(EA), eV:	-9.33(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]azanium;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)N=C1NNC(=O)C)C2CC(C(O2)COC(=O)C)OC(=O)C

DOS

IR

Vibrations