Geometry & MOs

Info

ID:	209868
PubChem CID:	80732875
Reduced:	OCl3N3H8C12 (1)
Stoich.:	AB3C3D8E12 (1)
Weight, g/mol:	306.07712
ΔH_f, kcal/mol:	0.89
Dipole, Da:	1.38
IP(EA), eV:	-9.36(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-chlorophenyl)ethyl]-3-methoxy-5-nitroaniline

Drug info:

PubChemData

Smile

CC1=NC(=C(C(=N1)Cl)C=O)NC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations