Geometry & MOs

Info

ID:	287898
PubChem CID:	104297900
Reduced:	BrON2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	325.04259
ΔH_f, kcal/mol:	-41.65
Dipole, Da:	2.48
IP(EA), eV:	-9.37(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-methylbenzoyl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)(C)CN)Br

DOS

IR

Vibrations