Geometry & MOs

Info

ID:	362410
PubChem CID:	127307755
Reduced:	N4O4C13H22 (1)
Stoich.:	A4B4C13D22 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	-178.88
Dipole, Da:	5.16
IP(EA), eV:	-9.03(-0.31)
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]-2-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

CCC(CN1CCN(CC1)C(=O)CN2CC(=O)NC2=O)O

DOS

IR

Vibrations