Geometry & MOs

Info

ID:	126110
PubChem CID:	50951996
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-7.88
Dipole, Da:	3.41
IP(EA), eV:	-8.34(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-5-(cyclopropanecarbonyl)-2-(2,3-dihydro-1H-inden-2-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=CC3=C(C=C2)OCCO3)N

DOS

IR

Vibrations