Geometry & MOs

Info

ID:	201716
PubChem CID:	79570554
Reduced:	BrOC14H27 (1)
Stoich.:	ABC14D27 (1)
Weight, g/mol:	237.209264
ΔH_f, kcal/mol:	-98.42
Dipole, Da:	3.69
IP(EA), eV:	-9.63(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[cycloheptyl(methyl)amino]ethyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CC1CCC(C(C1)Br)C(C)(C)COC(C)C

DOS

IR

Vibrations