Geometry & MOs

Info

ID:	437641
PubChem CID:	135226748
Reduced:	FO2N5C23H34 (1)
Stoich.:	AB2C5D23E34 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-100.69
Dipole, Da:	5.07
IP(EA), eV:	-8.34(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[hydroxy(phenylmethoxy)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

C1CC2(CCC1CN2)C(=O)N[C@@H](CC3=C(C=C(C=C3)N4CCN(CC4)C5COC5)F)N

DOS

IR

Vibrations