Geometry & MOs

Info

ID:	323840
PubChem CID:	126676300
Reduced:	ON10C22H24 (1)
Stoich.:	AB10C22D24 (1)
Weight, g/mol:	418.087547
ΔH_f, kcal/mol:	133.11
Dipole, Da:	2.31
IP(EA), eV:	-8.4(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

imino-[4-[[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carbonyl]amino]benzoyl]iminoazanium

Drug info:

PubChemData

Smile

CN(CC1=NC=CN1)C(=O)C2=CC=C(C=C2)CN3C=C(C=N3)CC4=CC(=NC5=C4NNN5)N

DOS

IR

Vibrations