Geometry & MOs

Info

ID:	309976
PubChem CID:	126571853
Reduced:	FON6H17C25 (1)
Stoich.:	ABC6D17E25 (1)
Weight, g/mol:	378.087016
ΔH_f, kcal/mol:	126.25
Dipole, Da:	7.34
IP(EA), eV:	-8.6(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] carbonochloridate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC=NC=C6)NN4)/C=C32)F

DOS

IR

Vibrations