Geometry & MOs

Info

ID:	208905
PubChem CID:	80602810
Reduced:	BrNOC17H26 (1)
Stoich.:	ABCD17E26 (1)
Weight, g/mol:	223.23
ΔH_f, kcal/mol:	-36.09
Dipole, Da:	1.77
IP(EA), eV:	-8.76(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclopentylmethyl)cyclooctyl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC2(CCCCCCC2)CN)Br

DOS

IR

Vibrations