Geometry & MOs

Info

ID:	347914
PubChem CID:	127272976
Reduced:	OSN5C20H21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	362.185509
ΔH_f, kcal/mol:	77.99
Dipole, Da:	5.39
IP(EA), eV:	-9.2(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC1C2=NC(=CS2)C(=O)N3CCC(CC3)C4=NC(=NN4)C5=CC=CC=C5

DOS

IR

Vibrations