Geometry & MOs

Info

ID:	144219
PubChem CID:	53333301
Reduced:	F2O2N5H13C19 (1)
Stoich.:	A2B2C5D13E19 (1)
Weight, g/mol:	262.062139
ΔH_f, kcal/mol:	-85.72
Dipole, Da:	7.82
IP(EA), eV:	-9.57(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-N-prop-2-enyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=NC=C3C(=N2)NC(=O)N(C3=O)C4=CC(=CC=C4)F)F

DOS

IR

Vibrations