Geometry & MOs

Info

ID:	288920
PubChem CID:	104328500
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-100.77
Dipole, Da:	7.96
IP(EA), eV:	-8.73(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(CCO)C2CC2)C(=O)O

DOS

IR

Vibrations