Geometry & MOs

Info

ID:	138648
PubChem CID:	52400321
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	331.177016
ΔH_f, kcal/mol:	-42.66
Dipole, Da:	4.84
IP(EA), eV:	-9.1(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[3-(2-methoxyethyl)-1H-imidazol-3-ium-4-yl]methyl]-N'-(4-methylphenyl)propanediamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(=O)C)C)CN(C)[C@@H](C)C2=NC=NC=C2

DOS

IR

Vibrations