Geometry & MOs

Info

ID:	198627
PubChem CID:	79127405
Reduced:	NOC17H25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	253.240565
ΔH_f, kcal/mol:	-54.4
Dipole, Da:	1.72
IP(EA), eV:	-9.08(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptan-1-ol

Drug info:

PubChemData

Smile

CC1CCCC(C1)(CN)C2(CCC3=CC=CC=C32)O

DOS

IR

Vibrations