Geometry & MOs

Info

ID:	347652
PubChem CID:	127272518
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-126.52
Dipole, Da:	3.62
IP(EA), eV:	-8.42(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)NC3=CC(=CC=C3)N4CCNC4=O)O)C

DOS

IR

Vibrations