Geometry & MOs

Info

ID:	208916
PubChem CID:	80603560
Reduced:	ClIN2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	299.120755
ΔH_f, kcal/mol:	1.19
Dipole, Da:	2.03
IP(EA), eV:	-9.73(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2,4-dichlorophenyl)methyl]cyclooctyl]methanamine

Drug info:

PubChemData

Smile

CC(C)CC1=C(C(=NC(=N1)C2CCCCCCC2)Cl)I

DOS

IR

Vibrations