Geometry & MOs

Info

ID:	163521
PubChem CID:	58023913
Reduced:	FO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	376.226312
ΔH_f, kcal/mol:	-78.03
Dipole, Da:	1.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.295957
Charge, e:	2

Chem-info

IUPAC name:

1-pyridin-1-ium-4-yl-N-[(1R,2S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=[N+]3C=CC=CC3=C(N2)C4=CC=C(C=C4)F)O

DOS

IR

Vibrations