Geometry & MOs

Info

ID:	371731
PubChem CID:	131271414
Reduced:	NSO3C10H17 (1)
Stoich.:	ABC3D10E17 (1)
Weight, g/mol:	152.08373
ΔH_f, kcal/mol:	-126.35
Dipole, Da:	5.57
IP(EA), eV:	-10.92(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropylhexa-2,4-dienoic acid

Drug info:

PubChemData

Smile

CC(C)CC1(CS(=O)(=O)CCC1O)C#N

DOS

IR

Vibrations