Geometry & MOs

Info

ID:	269588
PubChem CID:	103618062
Reduced:	BrNSO4C12H14 (1)
Stoich.:	ABCD4E12F14 (1)
Weight, g/mol:	206.141913
ΔH_f, kcal/mol:	-158.96
Dipole, Da:	4.03
IP(EA), eV:	-9.5(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-methyl-N-phenylpentanamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1NC(=O)C2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations