Geometry & MOs

Info

ID:	347650
PubChem CID:	127272516
Reduced:	N2O3C20H28 (1)
Stoich.:	A2B3C20D28 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	-124.02
Dipole, Da:	6.12
IP(EA), eV:	-8.49(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCN(CC3)C4CCCC4)O)C

DOS

IR

Vibrations