Geometry & MOs

Info

ID:	252634
PubChem CID:	103112830
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-85.14
Dipole, Da:	4.86
IP(EA), eV:	-10.25(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 1-(cyclopropylmethyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations