Geometry & MOs

Info

ID:	343564
PubChem CID:	127266737
Reduced:	ClN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	344.140389
ΔH_f, kcal/mol:	-91.65
Dipole, Da:	3.67
IP(EA), eV:	-9.0(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-6-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC=C1Cl)NC2CCCC2C(=O)NC

DOS

IR

Vibrations