Geometry & MOs

Info

ID:	252392
PubChem CID:	103111053
Reduced:	N2O5H12C13 (1)
Stoich.:	A2B5C12D13 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-76.13
Dipole, Da:	3.51
IP(EA), eV:	-9.3(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=CC=C(O2)C(=O)O

DOS

IR

Vibrations