Geometry & MOs

Info

ID:	288689
PubChem CID:	104323860
Reduced:	ClNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	241.204179
ΔH_f, kcal/mol:	-95.56
Dipole, Da:	3.72
IP(EA), eV:	-8.86(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(hydroxymethyl)-2-methylpentyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)CCC(C3=CC=CC=C3Cl)O)O

DOS

IR

Vibrations