Geometry & MOs

Info

ID:	270134
PubChem CID:	103629628
Reduced:	BrOSN2C9H11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	316.110919
ΔH_f, kcal/mol:	3.77
Dipole, Da:	3.22
IP(EA), eV:	-9.27(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,4-dimethylpentanamide

Drug info:

PubChemData

Smile

C1CN(CCN1)C(=O)C2=CSC(=C2)Br

DOS

IR

Vibrations