Geometry & MOs

Info

ID:	388365
PubChem CID:	134988926
Reduced:	NC5H5 (3)
Stoich.:	AB5C5 (3)
Weight, g/mol:	174.035065
ΔH_f, kcal/mol:	78.92
Dipole, Da:	2.45
IP(EA), eV:	-9.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2,3-dimethyl-4-sulfonylpent-2-enal

Drug info:

PubChemData

Smile

CC1=NCCC1(C2=CN=CC=C2)C3=CN=CC=C3

DOS

IR

Vibrations