Geometry & MOs

Info

ID:	373229
PubChem CID:	131311962
Reduced:	INO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	199.003621
ΔH_f, kcal/mol:	4.2
Dipole, Da:	0.91
IP(EA), eV:	-9.1(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-nitrophenyl)acetaldehyde

Drug info:

PubChemData

Smile

CCOC1=NOC2=C1C=C(C=C2C)I

DOS

IR

Vibrations