Geometry & MOs

Info

ID:	200405
PubChem CID:	79382696
Reduced:	NO2C12H23 (1)
Stoich.:	AB2C12D23 (1)
Weight, g/mol:	309.223869
ΔH_f, kcal/mol:	-122.77
Dipole, Da:	5.06
IP(EA), eV:	-8.96(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCC(C(C)C)N1CCC(C1C)C(=O)O

DOS

IR

Vibrations