Geometry & MOs

Info

ID:	260452
PubChem CID:	103191973
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	311.212826
ΔH_f, kcal/mol:	-63.45
Dipole, Da:	6.51
IP(EA), eV:	-8.75(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[2-(2-aminobutyl)-3-chlorophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CC1=CC(=NC=C1)C(=O)O)C(C)CN(C)C

DOS

IR

Vibrations