Geometry & MOs

Info

ID:	126135
PubChem CID:	50952989
Reduced:	N4O4C19H20 (1)
Stoich.:	A4B4C19D20 (1)
Weight, g/mol:	319.237211
ΔH_f, kcal/mol:	-99.02
Dipole, Da:	9.75
IP(EA), eV:	-9.75(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCN2C(=CC(=N2)C(=O)O)C1)N3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations