Geometry & MOs

Info

ID:	56874
PubChem CID:	22394626
Reduced:	BrNOSH8C13 (1)
Stoich.:	ABCDE8F13 (1)
Weight, g/mol:	202.978549
ΔH_f, kcal/mol:	40.99
Dipole, Da:	2.95
IP(EA), eV:	-9.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-fluoro-3-nitrobenzaldehyde

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)/C(=C\C3=CC=C(S3)Br)/C(=O)N2

DOS

IR

Vibrations