Geometry & MOs

Info

ID:	234686
PubChem CID:	92303308
Reduced:	FON2C10H13 (2)
Stoich.:	ABC2D10E13 (2)
Weight, g/mol:	371.148121
ΔH_f, kcal/mol:	-144.18
Dipole, Da:	2.01
IP(EA), eV:	-9.32(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3aS,6aR)-1-(2-methyl-4-oxopentan-2-yl)-4,6-dioxo-5-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CCCNC(=O)N(C[C@@H]1CCCO1)CC2=NC=CN2CC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations