Geometry & MOs

Info

ID:	165408
PubChem CID:	74546734
Reduced:	ON7C23H40 (1)
Stoich.:	AB7C23D40 (1)
Weight, g/mol:	145.134088
ΔH_f, kcal/mol:	18.06
Dipole, Da:	8.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752246
Charge, e:	1

Chem-info

IUPAC name:

2-(2-methylmorpholin-4-yl)ethylazanium

Drug info:

PubChemData

Smile

CC1CCCC2C1NC(=O)C(C2)C(C3=NN=NN3C4CCCCC4)N5CC[NH+](CC5)C

DOS

IR

Vibrations