Geometry & MOs

Info

ID:	201784
PubChem CID:	79582595
Reduced:	ClN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	267.021769
ΔH_f, kcal/mol:	-19.0
Dipole, Da:	2.52
IP(EA), eV:	-9.24(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(4-chlorophenoxy)methyl]aniline

Drug info:

PubChemData

Smile

CC(C)CC(C)NCC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations