Geometry & MOs

Info

ID:	12957
PubChem CID:	219112
Reduced:	BrNO3C16H26 (1)
Stoich.:	ABC3D16E26 (1)
Weight, g/mol:	359.10961
ΔH_f, kcal/mol:	-123.48
Dipole, Da:	16.21
IP(EA), eV:	-7.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethoxybenzoyl)oxyethyl-diethyl-methylazanium;bromide

Drug info:

PubChemData

Smile

CC[N+](C)(CC)CCOC(=O)C1=CC=CC=C1OCC.[Br-]

DOS

IR

Vibrations