Geometry & MOs

Info

ID:	392399
PubChem CID:	135015357
Reduced:	O2H13C15 (1)
Stoich.:	A2B13C15 (1)
Weight, g/mol:	513.207072
ΔH_f, kcal/mol:	4.7
Dipole, Da:	2.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.342630
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-2-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-phenylethenyl]phenoxy]-N-ethylethanamine

Drug info:

PubChemData

Smile

CC(=O)OC/C=C/C1=CC=CC2=C1C=[C+]C=C2

DOS

IR

Vibrations