Geometry & MOs

Info

ID:	160865
PubChem CID:	57390046
Reduced:	FON6H19C21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	418.191738
ΔH_f, kcal/mol:	59.71
Dipole, Da:	6.58
IP(EA), eV:	-8.82(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[2-[4-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)NCCN3C=C(C=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations