Geometry & MOs

Info

ID:	57086
PubChem CID:	22395318
Reduced:	BrN3O4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	430.05282
ΔH_f, kcal/mol:	-37.08
Dipole, Da:	4.93
IP(EA), eV:	-8.4(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-7-ethoxy-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations