Geometry & MOs

Info

ID:	361650
PubChem CID:	127303982
Reduced:	ON7C19H23 (1)
Stoich.:	AB7C19D23 (1)
Weight, g/mol:	382.182733
ΔH_f, kcal/mol:	80.73
Dipole, Da:	6.66
IP(EA), eV:	-9.05(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)C(=O)N3CCC(CC3)C4=NN=CN4C5CC5)C

DOS

IR

Vibrations