Geometry & MOs

Info

ID:	390947
PubChem CID:	135001723
Reduced:	SN4O8C21H36 (1)
Stoich.:	AB4C8D21E36 (1)
Weight, g/mol:	282.16198
ΔH_f, kcal/mol:	-346.72
Dipole, Da:	4.21
IP(EA), eV:	-8.9(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3,5-trimethylbenzene

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CCN1CCOCC1)NC(=O)N(C)CC2=CSC(=N2)C(C)C.C(=O)O.C(=O)O

DOS

IR

Vibrations