Geometry & MOs

Info

ID:	90043
PubChem CID:	49965910
Reduced:	O6N7H21C22 (1)
Stoich.:	A6B7C21D22 (1)
Weight, g/mol:	360.103397
ΔH_f, kcal/mol:	-23.98
Dipole, Da:	8.37
IP(EA), eV:	-9.26(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CN4C=C(C=N4)[N+](=O)[O-]

DOS

IR

Vibrations