Geometry & MOs

Info

ID:	282237
PubChem CID:	103919705
Reduced:	BrN2O2C10H15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	267.144613
ΔH_f, kcal/mol:	-76.48
Dipole, Da:	2.11
IP(EA), eV:	-9.14(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(=O)C1=CC(=CN1C)Br

DOS

IR

Vibrations