Geometry & MOs

Info

ID:	260453
PubChem CID:	103192043
Reduced:	ClN3C17H30 (1)
Stoich.:	AB3C17D30 (1)
Weight, g/mol:	311.212826
ΔH_f, kcal/mol:	-13.29
Dipole, Da:	4.47
IP(EA), eV:	-8.49(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[4-(2-aminobutyl)-2-chlorophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CCC(CC1=C(C=CC=C1Cl)N(CC)C(C)CN(C)C)N

DOS

IR

Vibrations