Geometry & MOs

Info

ID:	358332
PubChem CID:	127295877
Reduced:	O4N5C19H23 (1)
Stoich.:	A4B5C19D23 (1)
Weight, g/mol:	389.195071
ΔH_f, kcal/mol:	-145.24
Dipole, Da:	5.4
IP(EA), eV:	-9.15(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=O)C(=CN2)C(=O)NCCC(=O)N3CCN(CC3)C(=O)C

DOS

IR

Vibrations