Geometry & MOs

Info

ID:	264008
PubChem CID:	103415815
Reduced:	OSN2Br3H9C14 (1)
Stoich.:	ABC2D3E9F14 (1)
Weight, g/mol:	229.204179
ΔH_f, kcal/mol:	38.41
Dipole, Da:	2.59
IP(EA), eV:	-8.86(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)NC2=NC3=C(S2)C=CC(=C3)Br)Br)Br

DOS

IR

Vibrations