Geometry & MOs

Info

ID:	204788
PubChem CID:	80008209
Reduced:	ClN3C15H16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	281.181336
ΔH_f, kcal/mol:	50.12
Dipole, Da:	2.91
IP(EA), eV:	-8.9(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol

Drug info:

PubChemData

Smile

C1CCNC(C1)C2=NC=C(C=N2)C3=CC=CC=C3Cl

DOS

IR

Vibrations