Geometry & MOs

Info

ID:	202956
PubChem CID:	79751700
Reduced:	SN3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	258.184447
ΔH_f, kcal/mol:	32.69
Dipole, Da:	3.37
IP(EA), eV:	-8.89(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-(1-ethylimidazol-2-yl)-3-pyridin-4-ylpropan-2-amine

Drug info:

PubChemData

Smile

CCCNC(CC1=CC=CS1)CC2=NC=CN2CC

DOS

IR

Vibrations