Geometry & MOs

Info

ID:	322403
PubChem CID:	126670029
Reduced:	NO8C23H29 (1)
Stoich.:	AB8C23D29 (1)
Weight, g/mol:	434.118847
ΔH_f, kcal/mol:	-188.49
Dipole, Da:	7.01
IP(EA), eV:	-9.52(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

imino-[3-methoxy-4-[[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]methylamino]benzoyl]iminoazanium

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)C2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)OC4=CC=C(C=C4)[N+](=O)[O-])OC)C

DOS

IR

Vibrations