Geometry & MOs

Info

ID:	402644
PubChem CID:	135056673
Reduced:	NSH7C9 (1)
Stoich.:	ABC7D9 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	90.14
Dipole, Da:	4.55
IP(EA), eV:	-8.6(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-5-hydroxy-3-(4-methoxyphenyl)-2-methylpent-2-enal

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C=N)C=S

DOS

IR

Vibrations