Geometry & MOs

Info

ID:	171332
PubChem CID:	75361191
Reduced:	BrNSO3C11H12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-102.69
Dipole, Da:	6.41
IP(EA), eV:	-9.64(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxycyclohexyl)-4-(N-methylanilino)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)C2=C(C=CS2)Br)C(=O)O

DOS

IR

Vibrations