Geometry & MOs

Info

ID:	368870
PubChem CID:	127330840
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-69.64
Dipole, Da:	8.38
IP(EA), eV:	-9.14(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2CCCN(C2)C(=O)C3CCCN3C(=O)C4=CC=CC=C4O

DOS

IR

Vibrations