Geometry & MOs

Info

ID:	212888
PubChem CID:	81062143
Reduced:	ClN2O2C12H19 (1)
Stoich.:	AB2C2D12E19 (1)
Weight, g/mol:	279.11978
ΔH_f, kcal/mol:	-76.06
Dipole, Da:	4.19
IP(EA), eV:	-8.43(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-N-(2-ethoxyethyl)-2-ethyl-N-methylbutan-1-amine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C1=C(C=C(C=N1)CO)Cl

DOS

IR

Vibrations