Geometry & MOs

Info

ID:	66013
PubChem CID:	46488118
Reduced:	SN3O5H15C19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-18.58
Dipole, Da:	6.53
IP(EA), eV:	-9.19(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)NNC(=O)C3=CSC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations