Geometry & MOs

Info

ID:	363479
PubChem CID:	127311282
Reduced:	N2O3C17H28 (1)
Stoich.:	A2B3C17D28 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-167.46
Dipole, Da:	3.73
IP(EA), eV:	-9.07(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)NC2CCCOC2)C(=O)N3CCCC3

DOS

IR

Vibrations