Geometry & MOs

Info

ID:	57114
PubChem CID:	22395355
Reduced:	N3O4H19C21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	-57.18
Dipole, Da:	4.44
IP(EA), eV:	-8.38(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C(C2=C(O1)C=C(C=C2)N(C)C)C3=C4C(=CC=C3)OCO4)C#N

DOS

IR

Vibrations