Geometry & MOs

Info

ID:	353123
PubChem CID:	127284303
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	323.257277
ΔH_f, kcal/mol:	-43.92
Dipole, Da:	2.0
IP(EA), eV:	-8.43(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexylamino)-2-oxoethyl]-3-methyl-2-piperidin-1-ylbutanamide

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)C(=O)CC3=C(N=C4C=CNN4C3=O)C)C

DOS

IR

Vibrations