Geometry & MOs

Info

ID:	383018
PubChem CID:	134974506
Reduced:	IN2O2C17H29 (1)
Stoich.:	AB2C2D17E29 (1)
Weight, g/mol:	475.220617
ΔH_f, kcal/mol:	-79.3
Dipole, Da:	3.39
IP(EA), eV:	-8.96(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(methoxymethoxy)propoxymethyl]-1-[(E)-2-[4-[3-(methoxymethoxy)propoxy]phenyl]ethenyl]-4-nitrobenzene

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@H]2C(=O)N(C3(N2O1)CC(CCC3C(C)C)C)C)CI

DOS

IR

Vibrations