Geometry & MOs

Info

ID:	347644
PubChem CID:	127272510
Reduced:	N2O5C21H28 (1)
Stoich.:	A2B5C21D28 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-206.92
Dipole, Da:	4.99
IP(EA), eV:	-8.71(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-3H-1-benzofuran-6-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCCC(C3)C(=O)N4CCOCC4)O)C

DOS

IR

Vibrations