Geometry & MOs

Info

ID:	361655
PubChem CID:	127303987
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	12.46
Dipole, Da:	4.48
IP(EA), eV:	-9.11(-0.47)
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]-(1,3-dihydro-2-benzofuran-5-yl)methanone

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2C3CCN(CC3)C(=O)C4=C(N=CC=C4)N5CCOCC5

DOS

IR

Vibrations