Geometry & MOs

Info

ID:	193810
PubChem CID:	78441131
Reduced:	NO5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-170.77
Dipole, Da:	5.84
IP(EA), eV:	-9.47(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C1CCCCC1)OC(=O)C2=CC(=O)C3=CC=CC=C3O2

DOS

IR

Vibrations