Geometry & MOs

Info

ID:	251719
PubChem CID:	103106275
Reduced:	O2N3C16H29 (1)
Stoich.:	A2B3C16D29 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-87.75
Dipole, Da:	4.68
IP(EA), eV:	-10.13(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-tert-butyl-1-(cyclopropylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCN1C(=C(N=N1)C(=O)OCC)C(C)(C)C

DOS

IR

Vibrations