Geometry & MOs

Info

ID:	375327
PubChem CID:	131499978
Reduced:	BrNSO2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	225.209264
ΔH_f, kcal/mol:	-51.33
Dipole, Da:	7.45
IP(EA), eV:	-8.86(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-methyl-1-(oxan-4-yl)cyclohexyl]ethanamine

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1SC(=C2)N)Br)CC(=O)O

DOS

IR

Vibrations