Geometry & MOs

Info

ID:	359848
PubChem CID:	127299892
Reduced:	ON3C10H14 (2)
Stoich.:	AB3C10D14 (2)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	1.61
Dipole, Da:	4.67
IP(EA), eV:	-8.61(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)N2CCN(CC2)CC3=CN(N=N3)C4=CC=CC=C4

DOS

IR

Vibrations