Geometry & MOs

Info

ID:	142916
PubChem CID:	53115073
Reduced:	ON4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	260.107339
ΔH_f, kcal/mol:	44.86
Dipole, Da:	5.09
IP(EA), eV:	-9.4(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-fluorophenyl)triazol-4-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=C(N=N2)C(=O)NC3CC3)C

DOS

IR

Vibrations