Geometry & MOs

Info

ID:	170612
PubChem CID:	75258634
Reduced:	ON3C20H33 (1)
Stoich.:	AB3C20D33 (1)
Weight, g/mol:	332.130697
ΔH_f, kcal/mol:	-55.66
Dipole, Da:	5.04
IP(EA), eV:	-8.63(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC1CC(=O)NC(N1)C2=CC=CC=C2CN(C)CC(C)C

DOS

IR

Vibrations