Geometry & MOs

Info

ID:	336801
PubChem CID:	127255808
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	164.022192
ΔH_f, kcal/mol:	-33.41
Dipole, Da:	3.85
IP(EA), eV:	-8.52(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=O)CC2=C1C=CC(=C2)N)C

DOS

IR

Vibrations