Geometry & MOs

Info

ID:	89975
PubChem CID:	49965700
Reduced:	N3O3C30H35 (1)
Stoich.:	A3B3C30D35 (1)
Weight, g/mol:	409.094167
ΔH_f, kcal/mol:	-36.2
Dipole, Da:	7.37
IP(EA), eV:	-8.63(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[6-amino-4-(2-chloroquinolin-3-yl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate

Drug info:

PubChemData

Smile

CCN1C/C(=C\C2=CC=C(C=C2)OC(C)C)/C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)OC(C)C

DOS

IR

Vibrations