Geometry & MOs

Info

ID:	282371
PubChem CID:	103923621
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-113.31
Dipole, Da:	4.05
IP(EA), eV:	-9.26(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-hydroxyhexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1(CCCC1)CNCC2=CC=C(O2)C(=O)OC

DOS

IR

Vibrations