Geometry & MOs

Info

ID:	15021
PubChem CID:	427359
Reduced:	ClN2O2C7H7 (1)
Stoich.:	AB2C2D7E7 (1)
Weight, g/mol:	186.019605
ΔH_f, kcal/mol:	11.69
Dipole, Da:	4.28
IP(EA), eV:	-9.98(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-nitrophenyl)methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations