Geometry & MOs

Info

ID:	252529
PubChem CID:	103112032
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	296.148455
ΔH_f, kcal/mol:	42.84
Dipole, Da:	2.5
IP(EA), eV:	-9.15(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations