Geometry & MOs

Info

ID:	197100
PubChem CID:	78921761
Reduced:	BrON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	265.106256
ΔH_f, kcal/mol:	0.17
Dipole, Da:	3.96
IP(EA), eV:	-9.34(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Br)NCC2=CC(=CC=C2)C(=O)N

DOS

IR

Vibrations