Geometry & MOs

Info

ID:	381118
PubChem CID:	134971766
Reduced:	ON3C20H37 (1)
Stoich.:	AB3C20D37 (1)
Weight, g/mol:	652.492757
ΔH_f, kcal/mol:	-97.44
Dipole, Da:	2.56
IP(EA), eV:	-8.74(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-[(2S)-2-(butanoylamino)-3-(4-methylphenyl)propanoyl]piperidin-4-yl]methyl]-N-[4-[[4-(methylamino)cyclohexyl]methyl]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CNC1CCC(CC1)CC2CCC(CC2)NC(=O)C3CCNCC3

DOS

IR

Vibrations