Geometry & MOs

Info

ID:	358440
PubChem CID:	127296008
Reduced:	SN3O3C14H25 (1)
Stoich.:	AB3C3D14E25 (1)
Weight, g/mol:	318.216809
ΔH_f, kcal/mol:	-147.38
Dipole, Da:	7.65
IP(EA), eV:	-9.11(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-piperidin-1-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations