Geometry & MOs

Info

ID:	252753
PubChem CID:	103113851
Reduced:	O2N5C12H13 (1)
Stoich.:	A2B5C12D13 (1)
Weight, g/mol:	278.149124
ΔH_f, kcal/mol:	65.09
Dipole, Da:	5.55
IP(EA), eV:	-8.59(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=NN=C(C=C2)N

DOS

IR

Vibrations