Geometry & MOs

Info

ID:	163518
PubChem CID:	58023898
Reduced:	OF2N5H21C23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	420.20873
ΔH_f, kcal/mol:	-49.02
Dipole, Da:	4.39
IP(EA), eV:	-8.68(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1-adamantyl)-3-(3-fluoro-4-methoxyphenyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1(F)F)CC2=C3C=CC=CN3C(=N2)C(=O)NC4=CC=CC5=C4C=CN=C5

DOS

IR

Vibrations