Geometry & MOs

Info

ID:	140907
PubChem CID:	52781462
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	427.283492
ΔH_f, kcal/mol:	-79.18
Dipole, Da:	3.16
IP(EA), eV:	-9.4(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3S)-1-[4-(cyclohexanecarbonylamino)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@H](C)NC(=O)C1=CC=CC=C1CCC2=CC=CC=C2

DOS

IR

Vibrations