Geometry & MOs

Info

ID:	374859
PubChem CID:	131349568
Reduced:	ClNOF2H6C8 (1)
Stoich.:	ABCD2E6F8 (1)
Weight, g/mol:	225.100108
ΔH_f, kcal/mol:	-116.34
Dipole, Da:	1.89
IP(EA), eV:	-9.38(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4,5,6-trimethoxy-2,3-dihydro-1-benzofuran-3-amine

Drug info:

PubChemData

Smile

C1[C@@H](C2=C(C(=C(C=C2O1)F)Cl)F)N

DOS

IR

Vibrations