Geometry & MOs

Info

ID:	84390
PubChem CID:	49866185
Reduced:	N3O4H25C26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	311.087018
ΔH_f, kcal/mol:	-80.32
Dipole, Da:	1.91
IP(EA), eV:	-8.23(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,4-difluorophenyl)pyrazol-4-yl]-6-methyl-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC(C)(CC(=O)NC1=CC2=C(C=C1)C=CN2CC3=NC(=CC=C3)C4=C5C(=CC=C4)OCO5)O

DOS

IR

Vibrations