Geometry & MOs

Info

ID:	57100
PubChem CID:	22395337
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	413.0375
ΔH_f, kcal/mol:	-9.39
Dipole, Da:	2.03
IP(EA), eV:	-8.21(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-7-(dimethylamino)-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(CC(C(O2)N)(C#N)C3=CC=C(C=C3)O)C=C1

DOS

IR

Vibrations