Geometry & MOs

Info

ID:	90024
PubChem CID:	49965858
Reduced:	FON4H13C19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	447.172896
ΔH_f, kcal/mol:	57.54
Dipole, Da:	3.9
IP(EA), eV:	-9.17(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-butyl-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(=C(OC3=NNC(=C23)C4=CC=C(C=C4)F)N)C#N

DOS

IR

Vibrations