Geometry & MOs

Info

ID:	212145
PubChem CID:	81059602
Reduced:	O2N3C13H29 (1)
Stoich.:	A2B3C13D29 (1)
Weight, g/mol:	314.09938
ΔH_f, kcal/mol:	-115.06
Dipole, Da:	4.69
IP(EA), eV:	-8.98(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-methylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CC(CN)N(C)CCOCC

DOS

IR

Vibrations