Geometry & MOs

Info

ID:	175119
PubChem CID:	75858752
Reduced:	N3O4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	240.115517
ΔH_f, kcal/mol:	-80.6
Dipole, Da:	8.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.960725
Charge, e:	1

Chem-info

IUPAC name:

(2-chlorophenyl)methyl-methyl-(oxolan-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC[NH+](C1)CC2=NN=C(O2)C3=CC=CO3

DOS

IR

Vibrations