Geometry & MOs

Info

ID:	273910
PubChem CID:	103805794
Reduced:	BrON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	226.168128
ΔH_f, kcal/mol:	-45.14
Dipole, Da:	4.09
IP(EA), eV:	-9.21(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-aminocyclohexyl]oxane-3-carboxamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)N)NC(=O)CC2=CC(=CC=C2)Br

DOS

IR

Vibrations