Geometry & MOs

Info

ID:	57099
PubChem CID:	22395336
Reduced:	BrClN3O4H21C22 (1)
Stoich.:	ABC3D4E21F22 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	-64.67
Dipole, Da:	8.21
IP(EA), eV:	-8.44(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-(dimethylamino)-3-(4-hydroxyphenyl)-2,4-dihydrochromene-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)NC(=O)CCl)C#N)C3=CC(=C(C(=C3)Br)OC)OC

DOS

IR

Vibrations