Geometry & MOs

Info

ID:	132057
PubChem CID:	51300852
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	390.08745
ΔH_f, kcal/mol:	13.57
Dipole, Da:	3.75
IP(EA), eV:	-9.3(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C)C2=C(C=C(C=C2)C(=O)NC3CC3)[N+](=O)[O-]

DOS

IR

Vibrations