Geometry & MOs

Info

ID:	369166
PubChem CID:	127331467
Reduced:	N3O4C16H25 (1)
Stoich.:	A3B4C16D25 (1)
Weight, g/mol:	347.209658
ΔH_f, kcal/mol:	-196.48
Dipole, Da:	2.86
IP(EA), eV:	-9.45(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)C2=CN(C(=O)NC2=O)C

DOS

IR

Vibrations