Geometry & MOs

Info

ID:	446567
PubChem CID:	135276061
Reduced:	OSN6C20H28 (1)
Stoich.:	ABC6D20E28 (1)
Weight, g/mol:	276.071721
ΔH_f, kcal/mol:	11.42
Dipole, Da:	4.37
IP(EA), eV:	-8.51(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-2-[2-(4-fluorophenyl)prop-2-enyl]-4-methoxybenzene

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=C(C=C3)SC)N=C2NCCCCNC(=O)CC(C)C

DOS

IR

Vibrations