Geometry & MOs

Info

ID:	415421
PubChem CID:	135088415
Reduced:	ON5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	41.12
Dipole, Da:	5.34
IP(EA), eV:	-9.18(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propoxybenzamide

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=NNC5=CC=CC=C54

DOS

IR

Vibrations