Geometry & MOs

Info

ID:	70838
PubChem CID:	48413935
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	-104.01
Dipole, Da:	2.78
IP(EA), eV:	-9.24(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC2=C(NN=C2)C)C

DOS

IR

Vibrations