Geometry & MOs

Info

ID:	3871
PubChem CID:	10336
Reduced:	OC5H8 (1)
Stoich.:	AB5C8 (1)
Weight, g/mol:	84.057515
ΔH_f, kcal/mol:	-29.86
Dipole, Da:	3.74
IP(EA), eV:	-9.99(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylbut-2-enal

Drug info:

PubChemData

Smile

CC=C(C)C=O

DOS

IR

Vibrations