Geometry & MOs

Info

ID:	177121
PubChem CID:	76137052
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	586.475667
ΔH_f, kcal/mol:	-41.62
Dipole, Da:	3.91
IP(EA), eV:	-9.17(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[(3-methyl-1,2,4-triazol-4-yl)imino]but-1-en-1-amine;1-ethyl-azacycloicosane;thiophene

Drug info:

PubChemData

Smile

C1=CC=[N+](C(=C1)C2=CC=C(C=C2)CC(C(=O)O)N)[O-]

DOS

IR

Vibrations