Geometry & MOs

Info

ID:	358283
PubChem CID:	127295828
Reduced:	O2N3C24H35 (1)
Stoich.:	A2B3C24D35 (1)
Weight, g/mol:	306.216809
ΔH_f, kcal/mol:	-86.95
Dipole, Da:	5.14
IP(EA), eV:	-9.5(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-piperidin-1-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NC(C3CCC3)C4=CC=CC=C4

DOS

IR

Vibrations