Geometry & MOs

Info

ID:	447211
PubChem CID:	135281207
Reduced:	ClN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	327.93134
ΔH_f, kcal/mol:	-33.18
Dipole, Da:	8.22
IP(EA), eV:	-8.4(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-bromo-2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]acetaldehyde

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2=NC=CN2)Cl)OC

DOS

IR

Vibrations