Geometry & MOs

Info

ID:	424553
PubChem CID:	135123100
Reduced:	ClFNO3H9C13 (1)
Stoich.:	ABCD3E9F13 (1)
Weight, g/mol:	265.042505
ΔH_f, kcal/mol:	-49.02
Dipole, Da:	7.86
IP(EA), eV:	-9.77(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(2-chlorophenyl)methyl]-5-methylaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC2=CC=CC=C2F)Cl)[N+](=O)[O-]

DOS

IR

Vibrations