Geometry & MOs

Info

ID:	57098
PubChem CID:	22395334
Reduced:	N3O3H29C32 (1)
Stoich.:	A3B3C29D32 (1)
Weight, g/mol:	505.0404
ΔH_f, kcal/mol:	18.79
Dipole, Da:	7.23
IP(EA), eV:	-8.52(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-bromo-4,5-dimethoxyphenyl)-3-cyano-7-(dimethylamino)-4H-chromen-2-yl]-2-chloroacetamide

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=CC(=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations