Geometry & MOs

Info

ID:	200362
PubChem CID:	79377109
Reduced:	BrN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	297.205242
ΔH_f, kcal/mol:	-112.71
Dipole, Da:	4.37
IP(EA), eV:	-9.6(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylpiperazine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(CCN1C(=O)N(C)CC2=CC=CC=C2Br)C(=O)O

DOS

IR

Vibrations