Geometry & MOs

Info

ID:	9812
PubChem CID:	93449
Reduced:	ClN2O4C17H25 (1)
Stoich.:	AB2C4D17E25 (1)
Weight, g/mol:	356.150285
ΔH_f, kcal/mol:	-168.38
Dipole, Da:	8.07
IP(EA), eV:	-8.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]-2-oxoethyl]-trimethylazanium;chloride

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)C(=O)C[N+](C)(C)C)C.[Cl-]

DOS

IR

Vibrations