Geometry & MOs

Info

ID:	192006
PubChem CID:	78213190
Reduced:	N4O4H20C21 (1)
Stoich.:	A4B4C20D21 (1)
Weight, g/mol:	495.228183
ΔH_f, kcal/mol:	-22.5
Dipole, Da:	5.03
IP(EA), eV:	-8.72(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-(4-fluorophenyl)-4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCO2)C3C4C(NNC4OC(=C3C#N)N)C5=CC=CC=C5

DOS

IR

Vibrations