Geometry & MOs

Info

ID:	268671
PubChem CID:	103600395
Reduced:	IN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	306.07712
ΔH_f, kcal/mol:	-103.14
Dipole, Da:	5.81
IP(EA), eV:	-9.06(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-(2-methoxyphenyl)ethyl]-2-nitroaniline

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)C(=O)C2=C(C=CC(=C2)I)O

DOS

IR

Vibrations