Geometry & MOs

Info

ID:	277318
PubChem CID:	103827804
Reduced:	ON3C13H27 (1)
Stoich.:	AB3C13D27 (1)
Weight, g/mol:	241.124883
ΔH_f, kcal/mol:	-57.35
Dipole, Da:	4.29
IP(EA), eV:	-8.38(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C(C(C)(C)C)N)N(C)C1CC1

DOS

IR

Vibrations