Geometry & MOs

Info

ID:	57076
PubChem CID:	22395305
Reduced:	N3O3H17C19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	415.06955
ΔH_f, kcal/mol:	-13.13
Dipole, Da:	7.24
IP(EA), eV:	-8.48(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(3-bromo-4-fluorophenyl)-7-(diethylamino)-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=C4C(=CC=C3)OCO4

DOS

IR

Vibrations