Geometry & MOs

Info

ID:	374644
PubChem CID:	131342083
Reduced:	SN4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	200.040421
ΔH_f, kcal/mol:	18.71
Dipole, Da:	3.44
IP(EA), eV:	-8.48(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(chloromethyl)-4-fluorophenyl]propanal

Drug info:

PubChemData

Smile

CC1(CCC(CC1)CSC2=NNC(=N2)N)C

DOS

IR

Vibrations