Geometry & MOs

Info

ID:	264103
PubChem CID:	103428723
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-138.45
Dipole, Da:	7.15
IP(EA), eV:	-9.66(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3,6-dimethylbenzoic acid

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)C1=C(C=CC(=C1C(=O)O)C)C

DOS

IR

Vibrations