Geometry & MOs

Info

ID:	325440
PubChem CID:	126683280
Reduced:	O3H30C38 (1)
Stoich.:	A3B30C38 (1)
Weight, g/mol:	469.136174
ΔH_f, kcal/mol:	-2.86
Dipole, Da:	3.73
IP(EA), eV:	-8.71(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=C(C=C2)O)C(C3=CC=C(C=C3)C4=CC=CC=C4)C5=C(C=CC(=C5)C6=CC=C(C=C6)O)O

DOS

IR

Vibrations