Geometry & MOs

Info

ID:	252976
PubChem CID:	103115264
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-7.13
Dipole, Da:	4.71
IP(EA), eV:	-9.44(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(1-methylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCN1C(=C(N=N1)C(=O)OC)C2=CN(N=C2)C

DOS

IR

Vibrations