Geometry & MOs

Info

ID:	343018
PubChem CID:	127266181
Reduced:	Cl2N2O2C19H32 (1)
Stoich.:	A2B2C2D19E32 (1)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	-170.68
Dipole, Da:	3.07
IP(EA), eV:	-9.26(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzylpyrrolidin-3-yl) (3S)-3-(aminomethyl)-5-methylhexanoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](CC(=O)OC1CCN(C1)CC2=CC=CC=C2)CN.Cl.Cl

DOS

IR

Vibrations