Geometry & MOs

Info

ID:	44185
PubChem CID:	10501792
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	411.117268
ΔH_f, kcal/mol:	-23.24
Dipole, Da:	6.26
IP(EA), eV:	-9.37(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-N,N-diethylethanamine oxide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CN[C@@H](CC2=CN=CN2)C(=O)O

DOS

IR

Vibrations