Geometry & MOs

Info

ID:	160646
PubChem CID:	57389308
Reduced:	FN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	423.161915
ΔH_f, kcal/mol:	-139.91
Dipole, Da:	6.61
IP(EA), eV:	-9.23(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2CC3=CC(=NC=C3O2)C4=C(C=NC=C4)F

DOS

IR

Vibrations