Geometry & MOs

Info

ID:	9898
PubChem CID:	94531
Reduced:	NO2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	248.165054
ΔH_f, kcal/mol:	-41.53
Dipole, Da:	2.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.126572
Charge, e:	1

Chem-info

IUPAC name:

benzyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCC[N+](C)(C)CC1=CC=CC=C1

DOS

IR

Vibrations