Geometry & MOs

Info

ID:	197724
PubChem CID:	78989408
Reduced:	ON2C16H32 (1)
Stoich.:	AB2C16D32 (1)
Weight, g/mol:	269.199094
ΔH_f, kcal/mol:	-51.58
Dipole, Da:	1.77
IP(EA), eV:	-8.52(2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[cyclopropyl(3-methylbutyl)amino]methyl]oxane-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CCN(CC1(CCOCC1)CNC)C2CC2

DOS

IR

Vibrations