Geometry & MOs

Info

ID:	438993
PubChem CID:	135228754
Reduced:	N2C33H46 (1)
Stoich.:	A2B33C46 (1)
Weight, g/mol:	332.135863
ΔH_f, kcal/mol:	36.3
Dipole, Da:	4.78
IP(EA), eV:	-7.34(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-6-fluorophenyl]-1-(1,3-thiazol-2-yl)butan-1-ol

Drug info:

PubChemData

Smile

CCCC(=C)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=C)CC)/C(=C/C=C)/N(C)C(C)C)C(C)(C)C

DOS

IR

Vibrations