Geometry & MOs

Info

ID:	140972
PubChem CID:	52792724
Reduced:	ON3C22H37 (1)
Stoich.:	AB3C22D37 (1)
Weight, g/mol:	321.217818
ΔH_f, kcal/mol:	-18.64
Dipole, Da:	11.57
IP(EA), eV:	-6.24(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclopentylmethyl-[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]-methylazanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)[NH+](C)CC3CCCC3

DOS

IR

Vibrations