Geometry & MOs

Info

ID:	57074
PubChem CID:	22395302
Reduced:	N2F3C4O4H11 (1)
Stoich.:	A2B3C4D4E11 (1)
Weight, g/mol:	339.11384
ΔH_f, kcal/mol:	-367.26
Dipole, Da:	7.13
IP(EA), eV:	-10.5(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[4-(chloromethyl)phenyl]-7-(dimethylamino)-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CC#N.C(=O)(C(F)(F)F)O.[NH4+].O.[OH-]

DOS

IR

Vibrations