Geometry & MOs

Info

ID:	336564
PubChem CID:	127255571
Reduced:	NOC21H27 (1)
Stoich.:	ABC21D27 (1)
Weight, g/mol:	178.037842
ΔH_f, kcal/mol:	-19.77
Dipole, Da:	1.56
IP(EA), eV:	-8.23(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-(4-methyl-1,3-oxazol-2-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N(C2CCCCC2OC)C3=CC=CC=C3)C

DOS

IR

Vibrations