Geometry & MOs

Info

ID:	193783
PubChem CID:	78434644
Reduced:	NO4H16C17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	282.243304
ΔH_f, kcal/mol:	-106.37
Dipole, Da:	3.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760928
Charge, e:	1

Chem-info

IUPAC name:

[3-(2-adamantyloxy)-2-hydroxypropyl]-diethylazanium

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-]

DOS

IR

Vibrations