Geometry & MOs

Info

ID:	132286
PubChem CID:	51336824
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	347.16452
ΔH_f, kcal/mol:	5.01
Dipole, Da:	4.85
IP(EA), eV:	-8.85(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]heptanoate

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CCCNC(=O)C3CC3

DOS

IR

Vibrations