Geometry & MOs

Info

ID:	31030
PubChem CID:	854184
Reduced:	NO5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	269.04153
ΔH_f, kcal/mol:	-180.9
Dipole, Da:	6.3
IP(EA), eV:	-10.36(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(2S)-pentan-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@H]([C@H](C(=O)O)N1C(=O)C2=CC=CC=C2C1=O)O

DOS

IR

Vibrations