Geometry & MOs

Info

ID:	32169
PubChem CID:	6435743
Reduced:	ClNO9C28H36 (1)
Stoich.:	ABC9D28E36 (1)
Weight, g/mol:	415.191421
ΔH_f, kcal/mol:	-342.41
Dipole, Da:	6.41
IP(EA), eV:	-8.64(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]phenoxy]-4-phenylbut-3-en-2-one

Drug info:

PubChemData

Smile

CC(C)N(CCOC1=C(C=C(C=C1)Cl)O/C(=C\C2=CC=CC=C2)/C(=O)C)C(C)C.C(C(C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations