Geometry & MOs

Info

ID:	57116
PubChem CID:	22395357
Reduced:	N3O3H29C32 (1)
Stoich.:	A3B3C29D32 (1)
Weight, g/mol:	357.128883
ΔH_f, kcal/mol:	30.81
Dipole, Da:	6.27
IP(EA), eV:	-8.26(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations