Geometry & MOs

Info

ID:	404842
PubChem CID:	135071393
Reduced:	NOH25C30 (1)
Stoich.:	ABC25D30 (1)
Weight, g/mol:	358.05684
ΔH_f, kcal/mol:	75.22
Dipole, Da:	4.19
IP(EA), eV:	-8.55(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-methoxy-4-[(E)-3-[(E)-3-phenylprop-2-enoxy]prop-1-enyl]benzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N/C(=C\C(=O)C2=CC=CC=C2)/C3=CC=CC=C3)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations