Geometry & MOs

Info

ID:	440194
PubChem CID:	135230104
Reduced:	O2C5H9 (2)
Stoich.:	A2B5C9 (2)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-208.2
Dipole, Da:	2.87
IP(EA), eV:	-10.29(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(hydroxymethyl)-2-methyl-N-[4-(methylamino)phenyl]hexanamide

Drug info:

PubChemData

Smile

CC1(O[C@@H]2C[C@@H](O[C@@H]2O1)CCCO)C

DOS

IR

Vibrations