Geometry & MOs

Info

ID:	9897
PubChem CID:	94530
Reduced:	ClNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	283.133907
ΔH_f, kcal/mol:	-65.64
Dipole, Da:	10.38
IP(EA), eV:	-8.46(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations