Geometry & MOs

Info

ID:	270856
PubChem CID:	103638442
Reduced:	ClION2H10C16 (1)
Stoich.:	ABCD2E10F16 (1)
Weight, g/mol:	266.097917
ΔH_f, kcal/mol:	44.69
Dipole, Da:	4.55
IP(EA), eV:	-9.03(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3-difluorobenzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CN=C2C(=O)NC3=C(C=C(C=C3)I)Cl

DOS

IR

Vibrations