Geometry & MOs

Info

ID:	126078
PubChem CID:	50950530
Reduced:	ON4C17H30 (1)
Stoich.:	AB4C17D30 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	-45.35
Dipole, Da:	2.72
IP(EA), eV:	-9.09(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-5-(2-pyridin-2-ylacetyl)-2-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCN(C)C(C)C(=O)NC2CCCC2)C

DOS

IR

Vibrations