Geometry & MOs

Info

ID:	57107
PubChem CID:	22395346
Reduced:	BrON4H13C16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	419.257277
ΔH_f, kcal/mol:	62.45
Dipole, Da:	8.52
IP(EA), eV:	-8.78(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=CN=C3)Br

DOS

IR

Vibrations