Geometry & MOs

Info

ID:	264104
PubChem CID:	103428858
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	279.110673
ΔH_f, kcal/mol:	-151.74
Dipole, Da:	5.17
IP(EA), eV:	-9.53(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-3,6-dimethylbenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations