Geometry & MOs

Info

ID:	372644
PubChem CID:	131301520
Reduced:	ClNOF2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-133.07
Dipole, Da:	2.6
IP(EA), eV:	-9.7(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate

Drug info:

PubChemData

Smile

C[C@](CCO)(C1=C(C=CC(=C1Cl)F)F)N

DOS

IR

Vibrations