Geometry & MOs

Info

ID:	251773
PubChem CID:	103106824
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-49.41
Dipole, Da:	4.93
IP(EA), eV:	-10.18(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-[(2,5-dimethylpyrazol-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1CCCCC1N2C(=C(N=N2)C(=O)OCC)C3CC3

DOS

IR

Vibrations