Geometry & MOs

Info

ID:	403229
PubChem CID:	135059287
Reduced:	O2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	412.125944
ΔH_f, kcal/mol:	24.51
Dipole, Da:	4.35
IP(EA), eV:	-9.2(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methylamino)-2-phenyl-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](N2C(=C(N=N2)C3=CC=CC=C3)CO1)C4=CC=CC=C4)O

DOS

IR

Vibrations