Geometry & MOs

Info

ID:	349839
PubChem CID:	127276231
Reduced:	ClON5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	24.33
Dipole, Da:	3.51
IP(EA), eV:	-8.51(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)C3=CN(N=N3)C4=CC=CC=C4Cl

DOS

IR

Vibrations