Geometry & MOs

Info

ID:	200428
PubChem CID:	79387735
Reduced:	ON5C10H17 (1)
Stoich.:	AB5C10D17 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	3.13
Dipole, Da:	2.45
IP(EA), eV:	-9.02(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(CN(C)C1=NC=CN=C1C(=N)N)O

DOS

IR

Vibrations