Geometry & MOs

Info

ID:	185967
PubChem CID:	77374035
Reduced:	BrNO8C29H30 (1)
Stoich.:	ABC8D29E30 (1)
Weight, g/mol:	291.108228
ΔH_f, kcal/mol:	-292.47
Dipole, Da:	1.22
IP(EA), eV:	-9.07(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2,2-dimethyl-6-(2,2,2-trifluoroethoxy)-3,4-dihydrochromen-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C(CC1=CC=C(C=C1)O)C(=O)O)C(=O)CC2=C(C=C(C=C2)O)OCC3=CC=CC=C3Br

DOS

IR

Vibrations