Geometry & MOs

Info

ID:	156036
PubChem CID:	56368858
Reduced:	BrO2F3N3C19H21 (1)
Stoich.:	AB2C3D3E19F21 (1)
Weight, g/mol:	299.199762
ΔH_f, kcal/mol:	-200.53
Dipole, Da:	3.16
IP(EA), eV:	-8.87(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-phenylpentanamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC2=C(C=C(C=C2)N3CCOCC3)C(F)(F)F)Br

DOS

IR

Vibrations