Geometry & MOs

Info

ID:	284453
PubChem CID:	104046712
Reduced:	OF3N3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-168.63
Dipole, Da:	3.26
IP(EA), eV:	-9.41(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(cyclohexylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)NC1=CC=CC=C1C(F)(F)F)C#N

DOS

IR

Vibrations