Geometry & MOs

Info

ID:	35662
PubChem CID:	7980167
Reduced:	NF3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-255.55
Dipole, Da:	3.93
IP(EA), eV:	-9.4(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations