Geometry & MOs

Info

ID:	280794
PubChem CID:	103851306
Reduced:	NSF2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	260.174945
ΔH_f, kcal/mol:	-59.91
Dipole, Da:	3.03
IP(EA), eV:	-9.27(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dimethylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

Drug info:

PubChemData

Smile

C1CCC(C1)C(C2=CC=CS2)NCC3=CC(=CC(=C3)F)F

DOS

IR

Vibrations