Geometry & MOs

Info

ID:	128096
PubChem CID:	51031064
Reduced:	F2O2N4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-96.73
Dipole, Da:	3.43
IP(EA), eV:	-9.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(1S,2R)-2-hydroxycyclohexyl]carbamate

Drug info:

PubChemData

Smile

C1[C@@H](CN([C@@H]1C#N)C(=O)CNC2[C@H]3[C@@H]2CN(C3)C(=O)C4=CC=C(C=C4)F)F

DOS

IR

Vibrations