Geometry & MOs

Info

ID:	273909
PubChem CID:	103805793
Reduced:	N2O2F3C11H19 (1)
Stoich.:	A2B2C3D11E19 (1)
Weight, g/mol:	310.06808
ΔH_f, kcal/mol:	-274.58
Dipole, Da:	2.21
IP(EA), eV:	-9.23(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-aminocyclohexyl]-2-(3-bromophenyl)acetamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)N)NC(=O)CCOCC(F)(F)F

DOS

IR

Vibrations