Geometry & MOs

Info

ID:	298930
PubChem CID:	117664400
Reduced:	N2O4C27H34 (1)
Stoich.:	A2B4C27D34 (1)
Weight, g/mol:	308.17763
ΔH_f, kcal/mol:	-105.75
Dipole, Da:	4.68
IP(EA), eV:	-8.88(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethoxy-2-(3-methylbut-3-enyl)-5-[(E)-2-phenylethenyl]benzene

Drug info:

PubChemData

Smile

CC(=C)CCC1=C(C=C(C(=C1OCC2CNCCN2)C(=O)OC)/C=C/C3=CC=CC=C3)OC

DOS

IR

Vibrations