Geometry & MOs

Info

ID:	349817
PubChem CID:	127276209
Reduced:	FO2N3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-132.84
Dipole, Da:	5.12
IP(EA), eV:	-8.56(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)CCNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations