Geometry & MOs

Info

ID:	288585
PubChem CID:	104320533
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-35.57
Dipole, Da:	4.66
IP(EA), eV:	-8.73(0.18)
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)-(2-hydroxy-5-methylphenyl)methanone

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C(C/C(=N\O)/N)C3=CC=CC=C3)O

DOS

IR

Vibrations