Geometry & MOs

Info

ID:	288919
PubChem CID:	104328479
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-128.61
Dipole, Da:	7.86
IP(EA), eV:	-8.82(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[cyclopropyl(2-hydroxyethyl)amino]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCCC(C2)O)C(=O)O

DOS

IR

Vibrations