Geometry & MOs

Info

ID:	347912
PubChem CID:	127272974
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	-2.87
Dipole, Da:	4.26
IP(EA), eV:	-9.2(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dihydro-2-benzofuran-5-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)N2CCC(CC2)C3=NC(=NN3)C4=CC=CC=C4

DOS

IR

Vibrations