Geometry & MOs

Info

ID:	31046
PubChem CID:	854281
Reduced:	ON2H18C20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	337.15904
ΔH_f, kcal/mol:	32.51
Dipole, Da:	5.87
IP(EA), eV:	-7.83(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCC1=C(C(=CC=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2)O

DOS

IR

Vibrations