Geometry & MOs

Info

ID:	298703
PubChem CID:	117654082
Reduced:	N5O5H25C27 (1)
Stoich.:	A5B5C25D27 (1)
Weight, g/mol:	274.117824
ΔH_f, kcal/mol:	-77.01
Dipole, Da:	3.96
IP(EA), eV:	-8.7(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C2=C1CCN(C2=O)C3=CC=C(C=C3)N4CCNCC4=O)C5=CC6=C(C=C5)OC=C6

DOS

IR

Vibrations