Geometry & MOs

Info

ID:	361558
PubChem CID:	127303750
Reduced:	NOC5H9 (4)
Stoich.:	ABC5D9 (4)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-199.37
Dipole, Da:	6.53
IP(EA), eV:	-8.65(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(CN1CCN(CC1)C(=O)CCN2CCN(CC2)C(=O)C3CCCO3)O

DOS

IR

Vibrations