Geometry & MOs

Info

ID:	351924
PubChem CID:	127282842
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	371.206973
ΔH_f, kcal/mol:	-70.05
Dipole, Da:	5.22
IP(EA), eV:	-9.2(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)NCC3(CC3)C4=CC=CC=C4

DOS

IR

Vibrations