Geometry & MOs

Info

ID:	126662
PubChem CID:	50972568
Reduced:	ON4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	9.34
Dipole, Da:	4.27
IP(EA), eV:	-8.57(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-5-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NCC2=CN=CC=C2)C(=O)N3CCC(C3)N(C)C

DOS

IR

Vibrations