Geometry & MOs

Info

ID:	326221
PubChem CID:	126687195
Reduced:	N3C11H19 (1)
Stoich.:	A3B11C19 (1)
Weight, g/mol:	336.220164
ΔH_f, kcal/mol:	33.36
Dipole, Da:	3.45
IP(EA), eV:	-8.39(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-2-yl]phenol

Drug info:

PubChemData

Smile

C/C=C(/CN)\C(=C(\C)/N)\C=C(\C)/C=N

DOS

IR

Vibrations