Geometry & MOs

Info

ID:	11120
PubChem CID:	111259
Reduced:	N2O2C18H31 (1)
Stoich.:	A2B2C18D31 (1)
Weight, g/mol:	307.238553
ΔH_f, kcal/mol:	-68.57
Dipole, Da:	2.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.849657
Charge, e:	1

Chem-info

IUPAC name:

[4-(diethylcarbamoyloxy)-2-methyl-5-propan-2-ylphenyl]-trimethylazanium

Drug info:

PubChemData

Smile

CCN(CC)C(=O)OC1=C(C=C(C(=C1)C)[N+](C)(C)C)C(C)C

DOS

IR

Vibrations