Geometry & MOs

Info

ID:	290404
PubChem CID:	104463533
Reduced:	ClN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	226.113984
ΔH_f, kcal/mol:	-15.7
Dipole, Da:	5.93
IP(EA), eV:	-9.39(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethyl-1,3-thiazol-2-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CCC(CC)CNCC1=C(C=C(C=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations