Geometry & MOs

Info

ID:	254778
PubChem CID:	103127583
Reduced:	SN3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	284.174945
ΔH_f, kcal/mol:	68.57
Dipole, Da:	1.51
IP(EA), eV:	-8.48(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine

Drug info:

PubChemData

Smile

CCCNC(C1=CC=C(S1)C)C2=NN(C3=CC=CC=C32)C

DOS

IR

Vibrations