Geometry & MOs

Info

ID:	221132
PubChem CID:	85256946
Reduced:	N2O3C15H26 (1)
Stoich.:	A2B3C15D26 (1)
Weight, g/mol:	282.128966
ΔH_f, kcal/mol:	-131.86
Dipole, Da:	2.09
IP(EA), eV:	-9.39(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3-trimethoxy-5-(5-methylsulfanylpent-4-enyl)benzene

Drug info:

PubChemData

Smile

CC1C(N(C(N=C1OC)C(C)(C)C)C(=O)OCC=C)C

DOS

IR

Vibrations