Geometry & MOs

Info

ID:	360908
PubChem CID:	127301614
Reduced:	ClON6C20H21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	76.82
Dipole, Da:	8.78
IP(EA), eV:	-9.28(-0.82)
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]-(oxolan-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2C3CCN(CC3)C(=O)C4=C(NN=C4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations