Geometry & MOs

Info

ID:	437049
PubChem CID:	135214230
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-35.47
Dipole, Da:	5.29
IP(EA), eV:	-8.51(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-[[2-[1-(methylamino)cyclohexyl]-2-oxoethyl]amino]butan-2-one

Drug info:

PubChemData

Smile

CN(C1CC1)[C@@H](CC2=CC=C(C=C2)O)CNC(=O)NCCC3=CC=CC=C3

DOS

IR

Vibrations