Geometry & MOs

Info

ID:	165728
PubChem CID:	74587815
Reduced:	FO3N4C26H35 (1)
Stoich.:	AB3C4D26E35 (1)
Weight, g/mol:	345.15628
ΔH_f, kcal/mol:	-133.93
Dipole, Da:	5.76
IP(EA), eV:	-8.6(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 2-[[4-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-3-ium-5-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

C1CCN2CCCC(C2C1)CNC(=O)CCC(=O)N3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

DOS

IR

Vibrations