Geometry & MOs

Info

ID:	349456
PubChem CID:	127275243
Reduced:	ClON4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	385.166938
ΔH_f, kcal/mol:	12.74
Dipole, Da:	4.95
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CN3CCC(CC3)C4C5=C(C=C(C=C5)Cl)NC4=O

DOS

IR

Vibrations