Geometry & MOs

Info

ID:	160673
PubChem CID:	57389399
Reduced:	ON5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	439.132364
ΔH_f, kcal/mol:	20.42
Dipole, Da:	4.82
IP(EA), eV:	-9.02(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-ethyl-N-[2-[4-(5-fluoropyridin-2-yl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NC=C2C=CC3=C(C2=N1)N(N=C3C(=O)N)C(C)(C)C

DOS

IR

Vibrations