Geometry & MOs

Info

ID:	262313
PubChem CID:	103284126
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	243.219829
ΔH_f, kcal/mol:	-165.51
Dipole, Da:	3.04
IP(EA), eV:	-9.2(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpentyl (3S)-3-(aminomethyl)-5-methylhexanoate

Drug info:

PubChemData

Smile

CCCC(C)COC(=O)CC1CNCCO1

DOS

IR

Vibrations