Geometry & MOs

Info

ID:	160740
PubChem CID:	57389632
Reduced:	ON3H7C8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	439.132364
ΔH_f, kcal/mol:	38.57
Dipole, Da:	2.21
IP(EA), eV:	-9.61(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-ethyl-N-[2-[3-(5-fluoropyridin-2-yl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CN1C2=C(CCC3=CN=C(N=C32)OC4=CC=NC=C4)C(=N1)C(=O)N

DOS

IR

Vibrations