Geometry & MOs

Info

ID:	212912
PubChem CID:	81062228
Reduced:	ClO2N5C12H20 (1)
Stoich.:	AB2C5D12E20 (1)
Weight, g/mol:	307.15108
ΔH_f, kcal/mol:	-45.41
Dipole, Da:	3.66
IP(EA), eV:	-9.28(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-N-(2-ethoxyethyl)-N-methyl-2-propylpentan-1-amine

Drug info:

PubChemData

Smile

CCOCCN(C)C1=NC(=NC(=N1)N2CCOCC2)Cl

DOS

IR

Vibrations