Geometry & MOs

Info

ID:	144355
PubChem CID:	53353414
Reduced:	N3O5C26H29 (1)
Stoich.:	A3B5C26D29 (1)
Weight, g/mol:	346.104146
ΔH_f, kcal/mol:	-169.14
Dipole, Da:	3.39
IP(EA), eV:	-9.14(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-methoxy-3-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3OCC4=CC=C(C=C4)CN5CCC(CC5)O

DOS

IR

Vibrations