Geometry & MOs

Info

ID:	198619
PubChem CID:	79126121
Reduced:	NO2C15H27 (1)
Stoich.:	AB2C15D27 (1)
Weight, g/mol:	281.271865
ΔH_f, kcal/mol:	-127.62
Dipole, Da:	5.04
IP(EA), eV:	-9.54(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-ethylcyclopentan-1-ol

Drug info:

PubChemData

Smile

CCC1CCCC(C1)(CN)C2(CCC(=O)CC2)O

DOS

IR

Vibrations