Geometry & MOs

Info

ID:	361662
PubChem CID:	127303994
Reduced:	OSN5C17H21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	384.195011
ΔH_f, kcal/mol:	72.97
Dipole, Da:	9.95
IP(EA), eV:	-9.31(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(9H-fluoren-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC1C2=NC(=CS2)C(=O)N3CCC(CC3)C4=NN=CN4C5CC5

DOS

IR

Vibrations