Geometry & MOs

Info

ID:	166290
PubChem CID:	74664613
Reduced:	FON2C22H26 (1)
Stoich.:	ABC2D22E26 (1)
Weight, g/mol:	242.108899
ΔH_f, kcal/mol:	0.58
Dipole, Da:	16.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.038203
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-hydroxybutanamide

Drug info:

PubChemData

Smile

C1CC(C[NH+](C1)C2CCN(C2)C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations