Geometry & MOs

Info

ID:	130571
PubChem CID:	51091308
Reduced:	OSN5H13C14 (1)
Stoich.:	ABC5D13E14 (1)
Weight, g/mol:	292.080769
ΔH_f, kcal/mol:	64.82
Dipole, Da:	2.75
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 3-nitro-4-(1,2,4-triazol-1-yl)benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C=N2)NC(=O)NC3=NC=CS3

DOS

IR

Vibrations