Geometry & MOs

Info

ID:	407898
PubChem CID:	135080653
Reduced:	NiN8H30C44 (1)
Stoich.:	AB8C30D44 (1)
Weight, g/mol:	191.071306
ΔH_f, kcal/mol:	551.51
Dipole, Da:	6.41
IP(EA), eV:	-8.63(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-3-ethyloxiran-2-yl)morpholine

Drug info:

PubChemData

Smile

CC1(C2=NC3=C4C(=C([N-]3)N=C5C6=C(C=CC7=CC=CC=C76)C(=N5)N=C8C9=C(C3=CC=CC=C3C=C9)C(=NC(=N2)C1(C)C)[N-]8)C=CC1=CC=CC=C14)C.[Ni+2]

DOS

IR

Vibrations