Geometry & MOs

Info

ID:	343020
PubChem CID:	127266183
Reduced:	ClNOC9H16 (2)
Stoich.:	ABCD9E16 (2)
Weight, g/mol:	306.230728
ΔH_f, kcal/mol:	-168.31
Dipole, Da:	3.88
IP(EA), eV:	-9.13(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl(methyl)amino]ethyl (3S)-3-(aminomethyl)-5-methylhexanoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](CC(=O)OCCN(C)CC1=CC=CC=C1)CN.Cl.Cl

DOS

IR

Vibrations