Geometry & MOs

Info

ID:	201977
PubChem CID:	79612161
Reduced:	BrNO3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	317.213698
ΔH_f, kcal/mol:	-25.35
Dipole, Da:	5.99
IP(EA), eV:	-9.67(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-ethyl-4-N-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)C3=CC=C(C=C3)Br)CC(=O)O

DOS

IR

Vibrations