Geometry & MOs

Info

ID:	252508
PubChem CID:	103111841
Reduced:	O2N7H11C12 (1)
Stoich.:	A2B7C11D12 (1)
Weight, g/mol:	277.117489
ΔH_f, kcal/mol:	133.4
Dipole, Da:	5.5
IP(EA), eV:	-9.52(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 5-methyl-1-(pyrimidin-2-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=CN=CC3=NN=NN23

DOS

IR

Vibrations