Geometry & MOs

Info

ID:	288686
PubChem CID:	104323578
Reduced:	F2N2O2C15H18 (1)
Stoich.:	A2B2C2D15E18 (1)
Weight, g/mol:	294.267114
ΔH_f, kcal/mol:	-164.55
Dipole, Da:	4.03
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(ethylaminomethyl)cycloheptyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1F)C(=O)N2CC3CCC(C3C2)O)F

DOS

IR

Vibrations