Geometry & MOs

Info

ID:	189966
PubChem CID:	77933886
Reduced:	O2N8C25H26 (1)
Stoich.:	A2B8C25D26 (1)
Weight, g/mol:	511.272259
ΔH_f, kcal/mol:	87.57
Dipole, Da:	7.96
IP(EA), eV:	-8.8(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-cyclohexyl-5-oxo-5-phenylpentyl) 2-(2-acetylanilino)-2-phenylacetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=NNC2=NC3=CC(=NN3C(=C2)N4CCOCC4)C(=O)N(C)C5=CC=NC=C5

DOS

IR

Vibrations