Geometry & MOs

Info

ID:	160766
PubChem CID:	57389718
Reduced:	BrO2N7C22H22 (1)
Stoich.:	AB2C7D22E22 (1)
Weight, g/mol:	437.177565
ΔH_f, kcal/mol:	43.72
Dipole, Da:	7.41
IP(EA), eV:	-8.51(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=C(C=C2)OC3=NC=C4C=CC5=C(C4=N3)N(N=C5C(=O)N)C)Br

DOS

IR

Vibrations