Geometry & MOs

Info

ID:	126644
PubChem CID:	50971288
Reduced:	ON3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	364.142307
ΔH_f, kcal/mol:	-4.51
Dipole, Da:	2.14
IP(EA), eV:	-9.14(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3R,3aS,6aR)-1-(2-methylphenyl)-4,6-dioxo-5-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)CCNCCC2=CC=CC=N2

DOS

IR

Vibrations