Geometry & MOs

Info

ID:	190141
PubChem CID:	77959930
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	210.173213
ΔH_f, kcal/mol:	-58.58
Dipole, Da:	1.76
IP(EA), eV:	-9.28(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1C2=CNC(=C2)C(=O)NC(CO)C3=CC=CC=C3)OCC

DOS

IR

Vibrations