Geometry & MOs

Info

ID:	206771
PubChem CID:	80298266
Reduced:	BrOSN3H10C13 (1)
Stoich.:	ABCD3E10F13 (1)
Weight, g/mol:	228.220164
ΔH_f, kcal/mol:	32.33
Dipole, Da:	2.91
IP(EA), eV:	-9.53(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-aminopentan-2-yl)-3,4,4-trimethylpentanamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CN2C=NC3=C(C2=O)C=CC(=C3)Br

DOS

IR

Vibrations