Geometry & MOs

Info

ID:	13418
PubChem CID:	231188
Reduced:	N2O4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	324.204907
ΔH_f, kcal/mol:	-187.74
Dipole, Da:	4.49
IP(EA), eV:	-8.9(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamidobenzoic acid;2-[methyl(3-methylbutyl)amino]ethanol

Drug info:

PubChemData

Smile

CC(C)CCN(C)CCO.CC(=O)NC1=CC=C(C=C1)C(=O)O

DOS

IR

Vibrations