Geometry & MOs

Info

ID:	30729
PubChem CID:	841774
Reduced:	FN4O4H11C12 (1)
Stoich.:	AB4C4D11E12 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-68.9
Dipole, Da:	3.59
IP(EA), eV:	-9.23(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-benzylpyrazol-4-yl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=NN2)OC)[N+](=O)[O-]

DOS

IR

Vibrations