Geometry & MOs

Info

ID:	36731
PubChem CID:	8011928
Reduced:	NO7C19H19 (1)
Stoich.:	AB7C19D19 (1)
Weight, g/mol:	347.116245
ΔH_f, kcal/mol:	-238.2
Dipole, Da:	8.15
IP(EA), eV:	-9.1(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC)OC

DOS

IR

Vibrations