Geometry & MOs

Info

ID:	221005
PubChem CID:	85248181
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	257.119798
ΔH_f, kcal/mol:	-72.66
Dipole, Da:	2.85
IP(EA), eV:	-8.63(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[1-(2-amino-1,3-thiazol-4-yl)-3-methylbutyl]carbamate

Drug info:

PubChemData

Smile

CC1CC(C2=C3C(=CC(=C12)CO)C=CN3C(=O)C)C

DOS

IR

Vibrations