Geometry & MOs

Info

ID:	290354
PubChem CID:	104433094
Reduced:	SO3N4C13H20 (1)
Stoich.:	AB3C4D13E20 (1)
Weight, g/mol:	262.240899
ΔH_f, kcal/mol:	-96.75
Dipole, Da:	6.48
IP(EA), eV:	-9.51(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-dimethyl-N-(3-methyl-2-phenylpentyl)propane-1,3-diamine

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CCNC(=O)C2=CSC(=N2)CCN

DOS

IR

Vibrations