Geometry & MOs

Info

ID:	90009
PubChem CID:	49965795
Reduced:	Br2N3O3H21C25 (1)
Stoich.:	A2B3C3D21E25 (1)
Weight, g/mol:	340.117155
ΔH_f, kcal/mol:	-13.19
Dipole, Da:	5.56
IP(EA), eV:	-9.31(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)N1C/C(=C\C2=CC=C(C=C2)Br)/C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Br

DOS

IR

Vibrations