Geometry & MOs

Info

ID:	252078
PubChem CID:	103108888
Reduced:	FON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	261.088019
ΔH_f, kcal/mol:	-42.28
Dipole, Da:	7.25
IP(EA), eV:	-9.54(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-(3-methoxypropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=C(C=CC(=C1)C#N)F

DOS

IR

Vibrations