Geometry & MOs

Info

ID:	208544
PubChem CID:	80542189
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	-41.62
Dipole, Da:	2.34
IP(EA), eV:	-8.83(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-methyl-N-(2-phenylethyl)butanamide

Drug info:

PubChemData

Smile

CC(CCN)C(=O)NC1=NC2=C(S1)C=C(C=C2)OC

DOS

IR

Vibrations