Geometry & MOs

Info

ID:	157001
PubChem CID:	56404833
Reduced:	BrO2N5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	359.237291
ΔH_f, kcal/mol:	14.72
Dipole, Da:	6.79
IP(EA), eV:	-9.1(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,2-trimethylbutanamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NC2=CC(=CC=C2)OCCN3C=NC=N3)Br

DOS

IR

Vibrations