Geometry & MOs

Info

ID:	343017
PubChem CID:	127266180
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	390.184084
ΔH_f, kcal/mol:	-79.05
Dipole, Da:	4.53
IP(EA), eV:	-9.21(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=NC=CC(=C2)C(=O)N3CCC[C@H](C3)N

DOS

IR

Vibrations