Geometry & MOs

Info

ID:	145821
PubChem CID:	53598329
Reduced:	FO2N3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	274.062139
ΔH_f, kcal/mol:	-129.33
Dipole, Da:	5.56
IP(EA), eV:	-8.78(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-5-methyl-N-prop-2-ynyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CCCCNC(=O)NC2=CC=C(C=C2)F)CO

DOS

IR

Vibrations