Geometry & MOs

Info

ID:	182692
PubChem CID:	76927089
Reduced:	O3N4C13H24 (1)
Stoich.:	A3B4C13D24 (1)
Weight, g/mol:	286.095357
ΔH_f, kcal/mol:	-114.54
Dipole, Da:	3.71
IP(EA), eV:	-8.95(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CNC(=O)CCNC(=O)C1(CCCCCC1)C(=NO)N

DOS

IR

Vibrations