Geometry & MOs

Info

ID:	418584
PubChem CID:	135105916
Reduced:	NO3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	255.140533
ΔH_f, kcal/mol:	-104.4
Dipole, Da:	2.84
IP(EA), eV:	-8.49(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)CC(C)CC3=CC4=C(C=C3)OCO4)OCC1

DOS

IR

Vibrations