Geometry & MOs

Info

ID:	233312
PubChem CID:	89649977
Reduced:	BrNO4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	205.990135
ΔH_f, kcal/mol:	-149.44
Dipole, Da:	5.83
IP(EA), eV:	-10.27(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde

Drug info:

PubChemData

Smile

C1CC(C(C1)C(=O)O)C(=O)NCC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations