Geometry & MOs

Info

ID:	252802
PubChem CID:	103114263
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-62.91
Dipole, Da:	4.59
IP(EA), eV:	-9.02(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-(3-ethylcyclohexyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C=NC=C1C2CNCCO2

DOS

IR

Vibrations