Geometry & MOs

Info

ID:	251634
PubChem CID:	103105510
Reduced:	ClO2N4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	264.102254
ΔH_f, kcal/mol:	-6.78
Dipole, Da:	3.28
IP(EA), eV:	-9.84(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-fluoropropyl)-5-pyridin-4-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CCN)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations