Geometry & MOs

Info

ID:	57118
PubChem CID:	22395360
Reduced:	BrO3H7C8 (1)
Stoich.:	AB3C7D8 (1)
Weight, g/mol:	412.163436
ΔH_f, kcal/mol:	-64.52
Dipole, Da:	2.66
IP(EA), eV:	-8.66(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-7-(dimethylamino)-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carboxylate

Drug info:

PubChemData

Smile

C1C2=C(C=CC1(C=O)Br)OCO2

DOS

IR

Vibrations