Geometry & MOs

Info

ID:	28185
PubChem CID:	826100
Reduced:	NCl2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	9.33
Dipole, Da:	2.17
IP(EA), eV:	-9.02(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-N,N-dimethyl-5-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(N=C2C=C1)C)C/C=C(/C)\Cl)Cl

DOS

IR

Vibrations