Geometry & MOs

Info

ID:	252168
PubChem CID:	103109563
Reduced:	ClN3O3C10H16 (1)
Stoich.:	AB3C3D10E16 (1)
Weight, g/mol:	211.168462
ΔH_f, kcal/mol:	-107.66
Dipole, Da:	3.27
IP(EA), eV:	-10.6(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-ethyl-1-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propane-1,2-diamine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C(C)C(C)O)CCl

DOS

IR

Vibrations