Geometry & MOs

Info

ID:	382169
PubChem CID:	134973142
Reduced:	NO3C21H40 (1)
Stoich.:	AB3C21D40 (1)
Weight, g/mol:	428.1476
ΔH_f, kcal/mol:	-178.08
Dipole, Da:	5.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756581
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylaniline

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1(CCC(N1[O])(C)CCC(=O)O)C

DOS

IR

Vibrations