Geometry & MOs

Info

ID:	361578
PubChem CID:	127303844
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	384.195011
ΔH_f, kcal/mol:	-0.9
Dipole, Da:	5.41
IP(EA), eV:	-9.44(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CCCN2C(=O)C3=CC=CC=C3)C4=NN=CN4C5CC5

DOS

IR

Vibrations