Geometry & MOs

Info

ID:	132054
PubChem CID:	51300538
Reduced:	O4N5C9H13 (1)
Stoich.:	A4B5C9D13 (1)
Weight, g/mol:	337.115045
ΔH_f, kcal/mol:	-81.68
Dipole, Da:	6.84
IP(EA), eV:	-10.42(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCC(=O)NC(=O)N)C)[N+](=O)[O-]

DOS

IR

Vibrations