Geometry & MOs

Info

ID:	333033
PubChem CID:	127251457
Reduced:	FO2N5H24C25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	445.191403
ΔH_f, kcal/mol:	-7.38
Dipole, Da:	4.33
IP(EA), eV:	-9.28(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-1-[2-[4-[(3-fluorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CN3C4=CC=CC=C4N=N3)CC5=CC=C(C=C5)F

DOS

IR

Vibrations