Geometry & MOs

Info

ID:	242532
PubChem CID:	97301884
Reduced:	ClO2N3C25H28 (1)
Stoich.:	AB2C3D25E28 (1)
Weight, g/mol:	446.220557
ΔH_f, kcal/mol:	-2.23
Dipole, Da:	2.31
IP(EA), eV:	-8.05(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(E)-1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]-N,N-dimethylbutan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)/C(=C(/C2=CC=CC=N2)\OC3=CC=C(C=C3)OCCCN(C)C)/N

DOS

IR

Vibrations