Geometry & MOs

Info

ID:	311611
PubChem CID:	126595545
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	407.95084
ΔH_f, kcal/mol:	-39.39
Dipole, Da:	4.71
IP(EA), eV:	-8.3(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-6-fluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrazole

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCC4=C3C=C(C5=CC=CC=C45)O

DOS

IR

Vibrations