Geometry & MOs

Info

ID:	127257
PubChem CID:	50996487
Reduced:	FCl3N3O4H19C25 (1)
Stoich.:	AB3C3D4E19F25 (1)
Weight, g/mol:	374.03784
ΔH_f, kcal/mol:	-134.11
Dipole, Da:	6.67
IP(EA), eV:	-9.21(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxypyridin-2-yl]methanol

Drug info:

PubChemData

Smile

COCCOC1=C(C=C(C=C1)F)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=C(C=C(C=C4Cl)Cl)Cl

DOS

IR

Vibrations