Geometry & MOs

Info

ID:	90014
PubChem CID:	49965818
Reduced:	OBr2N3H23C29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	354.132805
ΔH_f, kcal/mol:	111.95
Dipole, Da:	3.85
IP(EA), eV:	-9.13(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1/C(=C\C2=CC=C(C=C2)Br)/C3=C(CN1CC4=CC=CC=C4)C(C(=C(O3)N)C#N)C5=CC=C(C=C5)Br

DOS

IR

Vibrations