Geometry & MOs

Info

ID:	2043
PubChem CID:	5648
Reduced:	NO2C19H32 (1)
Stoich.:	AB2C19D32 (1)
Weight, g/mol:	306.243304
ΔH_f, kcal/mol:	-74.4
Dipole, Da:	1.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751276
Charge, e:	1

Chem-info

IUPAC name:

diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations