Geometry & MOs

Info

ID:	32483
PubChem CID:	7838029
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	368.134777
ΔH_f, kcal/mol:	-81.12
Dipole, Da:	7.62
IP(EA), eV:	-8.93(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=NN1C(C)C)OC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations