Geometry & MOs

Info

ID:	310081
PubChem CID:	126574003
Reduced:	FN2O5C38H49 (1)
Stoich.:	AB2C5D38E49 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-201.72
Dipole, Da:	7.55
IP(EA), eV:	-8.04(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-2-benzyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=[N+]1[O-])C)[C@@H](C(=O)OC(C)C)OC(C)(C)C)N2CCC3(CCC3)CC2)C4=CC=C(C=C4)OCCC5=CC=C(C=C5)F

DOS

IR

Vibrations