Geometry & MOs

Info

ID:	275253
PubChem CID:	103814847
Reduced:	OSN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	241.124883
ΔH_f, kcal/mol:	-26.15
Dipole, Da:	5.25
IP(EA), eV:	-9.39(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNC(=O)C2C3CCC(C3)C2N

DOS

IR

Vibrations