Geometry & MOs

Info

ID:	273300
PubChem CID:	103770856
Reduced:	BrFNO3C14H19 (1)
Stoich.:	ABCD3E14F19 (1)
Weight, g/mol:	298.164105
ΔH_f, kcal/mol:	-169.97
Dipole, Da:	1.69
IP(EA), eV:	-9.95(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-hydroxy-4-methylpentyl)acetamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)COC1=C(C=C(C=C1)F)Br)O

DOS

IR

Vibrations