Geometry & MOs

Info

ID:	422977
PubChem CID:	135118717
Reduced:	ON3C26H31 (1)
Stoich.:	AB3C26D31 (1)
Weight, g/mol:	284.167083
ΔH_f, kcal/mol:	12.16
Dipole, Da:	2.94
IP(EA), eV:	-8.29(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-2-propylsulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCC(CC2)N[C@H]3COC[C@H]3CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations