Geometry & MOs

Info

ID:	288921
PubChem CID:	104328515
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-95.52
Dipole, Da:	6.5
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(CCO)CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations