Geometry & MOs

Info

ID:	230436
PubChem CID:	87570898
Reduced:	OSN3H19C22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	214.120509
ΔH_f, kcal/mol:	70.48
Dipole, Da:	2.86
IP(EA), eV:	-8.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylidenebutanoic acid;(E)-2-methylpent-2-enoic acid

Drug info:

PubChemData

Smile

C1CC2(C1)C=C(C3=CC=CC=C3O2)NC(=S)NC4=CC=CC5=C4C=NC=C5

DOS

IR

Vibrations