Geometry & MOs

Info

ID:	266638
PubChem CID:	103577337
Reduced:	ClN3C11H16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	200.152478
ΔH_f, kcal/mol:	15.56
Dipole, Da:	4.5
IP(EA), eV:	-9.19(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-amino-4-methylpyrrolidin-1-yl)-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1CN(CC1N)CC2=C(C=NC=C2)Cl

DOS

IR

Vibrations