Geometry & MOs

Info

ID:	57092
PubChem CID:	22395326
Reduced:	N3O7C25H25 (1)
Stoich.:	A3B7C25D25 (1)
Weight, g/mol:	460.154683
ΔH_f, kcal/mol:	-180.34
Dipole, Da:	6.5
IP(EA), eV:	-8.38(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-(dimethylamino)-4-[4-[(4-fluorophenyl)methoxy]-3-nitrophenyl]-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)N(C1=C(C(C2=C(O1)C=C(C=C2)N(C)C)C3=C4C(=CC=C3)OCO4)C#N)C(=O)OCC

DOS

IR

Vibrations