Geometry & MOs

Info

ID:	173058
PubChem CID:	75591129
Reduced:	N2O5C18H26 (1)
Stoich.:	A2B5C18D26 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-174.4
Dipole, Da:	5.08
IP(EA), eV:	-8.07(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-4-(3-methyl-1-prop-2-enylpyrazol-4-yl)-1,2,3,3a,4,5-hexahydropyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CN1CC2CN(CC2(C1)C(=O)O)CC3=CC(=C(C=C3OC)OC)OC

DOS

IR

Vibrations