Geometry & MOs

Info

ID:	325978
PubChem CID:	126685883
Reduced:	NO2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	546.298139
ΔH_f, kcal/mol:	-19.3
Dipole, Da:	0.53
IP(EA), eV:	-8.03(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-ethoxy-5-[(Z)-prop-1-enyl]phenoxy]-3-[3-[3-[2-ethoxy-5-[(Z)-prop-1-enyl]phenoxy]-2-hydroxypropyl]phenyl]propan-2-ol

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C/C)ON2CC=CN(C2)OC3=C(C=CC(=C3)/C=C/C)OCC

DOS

IR

Vibrations