Geometry & MOs

Info

ID:	333031
PubChem CID:	127251455
Reduced:	O2F3N3C24H28 (1)
Stoich.:	A2B3C3D24E28 (1)
Weight, g/mol:	445.191403
ΔH_f, kcal/mol:	-209.77
Dipole, Da:	4.16
IP(EA), eV:	-9.3(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CN3CCCC3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations