Geometry & MOs

Info

ID:	443692
PubChem CID:	135259773
Reduced:	BrN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-76.91
Dipole, Da:	3.39
IP(EA), eV:	-9.42(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(furan-2-carbonyl)-3,5-dimethylpiperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1C(=O)C2=CC=C(C=C2)Br)C)CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations