Geometry & MOs

Info

ID:	12021
PubChem CID:	126062
Reduced:	BrON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	296.05243
ΔH_f, kcal/mol:	-35.41
Dipole, Da:	3.71
IP(EA), eV:	-9.3(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-aminocyclohexyl]-4-bromobenzamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)N)NC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations