Geometry & MOs

Info

ID:	293149
PubChem CID:	117375043
Reduced:	ClN2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	247.96483
ΔH_f, kcal/mol:	20.25
Dipole, Da:	4.35
IP(EA), eV:	-8.26(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4,5-difluorophenyl)propanal

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=CC(=C2)C3CCCNC3)Cl

DOS

IR

Vibrations