Geometry & MOs

Info

ID:	181776
PubChem CID:	76791146
Reduced:	N5O5C19H27 (1)
Stoich.:	A5B5C19D27 (1)
Weight, g/mol:	482.233621
ΔH_f, kcal/mol:	-181.09
Dipole, Da:	4.11
IP(EA), eV:	-8.98(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methyl-2-oxobutyl)benzamide

Drug info:

PubChemData

Smile

CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)NC4CCCC4)O)O

DOS

IR

Vibrations