Geometry & MOs

Info

ID:	145514
PubChem CID:	53536728
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	337.103811
ΔH_f, kcal/mol:	-126.55
Dipole, Da:	2.58
IP(EA), eV:	-9.39(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino]oxymethyl]benzamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCCNC(=O)N[C@H]2[C@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations