Geometry & MOs

Info

ID:	39639
PubChem CID:	8141730
Reduced:	N3O5C23H37 (1)
Stoich.:	A3B5C23D37 (1)
Weight, g/mol:	381.10519
ΔH_f, kcal/mol:	-217.81
Dipole, Da:	5.8
IP(EA), eV:	-8.67(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-tert-butylacetamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)CC(=O)NC(C)(C)C

DOS

IR

Vibrations