Geometry & MOs

Info

ID:	126762
PubChem CID:	50977402
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	34.88
Dipole, Da:	4.89
IP(EA), eV:	-9.3(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C2CCCN2C(=O)C3=CC(=NN3)C4=CC=CC=C4

DOS

IR

Vibrations