Geometry & MOs

Info

ID:	383019
PubChem CID:	134974508
Reduced:	NO8C25H33 (1)
Stoich.:	AB8C25D33 (1)
Weight, g/mol:	387.168188
ΔH_f, kcal/mol:	-216.65
Dipole, Da:	6.36
IP(EA), eV:	-8.79(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[(E)-2-[4-(3-hydroxypropoxy)phenyl]ethenyl]-5-nitrophenyl]methoxy]propan-1-ol

Drug info:

PubChemData

Smile

COCOCCCOCC1=C(C=CC(=C1)[N+](=O)[O-])/C=C/C2=CC=C(C=C2)OCCCOCOC

DOS

IR

Vibrations