Geometry & MOs

Info

ID:	282232
PubChem CID:	103919368
Reduced:	FNSO2C14H20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-136.73
Dipole, Da:	5.71
IP(EA), eV:	-9.17(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-hydroxyhexyl)-3-phenyl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)F)SCC(=O)NCCCCCCO

DOS

IR

Vibrations