Geometry & MOs

Info

ID:	57106
PubChem CID:	22395345
Reduced:	N2O5H24C26 (1)
Stoich.:	A2B5C24D26 (1)
Weight, g/mol:	356.02727
ΔH_f, kcal/mol:	-75.3
Dipole, Da:	5.49
IP(EA), eV:	-8.38(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(5-bromopyridin-3-yl)-7-(methylamino)-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(C(C(=N)O2)C(=O)C3=CC=CC=C3)C4=CC5=C(C(=C4)OC)OCO5

DOS

IR

Vibrations