Geometry & MOs

Info

ID:	285076
PubChem CID:	104096605
Reduced:	NO5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	199.095691
ΔH_f, kcal/mol:	-93.22
Dipole, Da:	4.01
IP(EA), eV:	-9.91(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-methoxypropyl)-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(COC1=C(C=CC(=C1)C=O)[N+](=O)[O-])OC

DOS

IR

Vibrations