Geometry & MOs

Info

ID:	373966
PubChem CID:	131321787
Reduced:	ClON2C7H9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	275.99613
ΔH_f, kcal/mol:	-24.46
Dipole, Da:	3.92
IP(EA), eV:	-9.57(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(bromomethyl)-2-(difluoromethyl)phenyl]propanal

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=O)C1N)C)Cl

DOS

IR

Vibrations