Geometry & MOs

Info

ID:	57096
PubChem CID:	22395332
Reduced:	BrN3O5H22C24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	347.199762
ΔH_f, kcal/mol:	-96.68
Dipole, Da:	3.86
IP(EA), eV:	-8.38(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(4-tert-butylphenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N3C(=O)CCC3=O)C#N)C4=CC(=C(C(=C4)Br)OC)OC

DOS

IR

Vibrations