Geometry & MOs

Info

ID:	399842
PubChem CID:	135043121
Reduced:	BrN2O4C13H21 (1)
Stoich.:	AB2C4D13E21 (1)
Weight, g/mol:	217.15924
ΔH_f, kcal/mol:	-222.18
Dipole, Da:	4.62
IP(EA), eV:	-9.45(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC[C@@H]([C@H](NC(=O)OC(C)(C)C)N1C(=O)CCC1=O)Br

DOS

IR

Vibrations