Geometry & MOs

Info

ID:	323437
PubChem CID:	126674820
Reduced:	N2F3O3C16H21 (1)
Stoich.:	A2B3C3D16E21 (1)
Weight, g/mol:	320.209993
ΔH_f, kcal/mol:	-293.89
Dipole, Da:	3.41
IP(EA), eV:	-9.15(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(pyridin-4-ylmethoxymethyl)cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[C@H](C1)OC2=C(C=C(C=C2)C(F)(F)F)N

DOS

IR

Vibrations