Geometry & MOs

Info

ID:	272428
PubChem CID:	103742934
Reduced:	N3C15H19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	299.13578
ΔH_f, kcal/mol:	56.61
Dipole, Da:	4.77
IP(EA), eV:	-8.77(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1(CC1)CNC2=NC=NC3=CC=CC=C32

DOS

IR

Vibrations