Geometry & MOs

Info

ID:	288620
PubChem CID:	104321733
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-82.62
Dipole, Da:	2.86
IP(EA), eV:	-9.06(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-(3-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCC(=O)N2CC3CCC(C3C2)O)C

DOS

IR

Vibrations