Geometry & MOs

Info

ID:	133860
PubChem CID:	51602618
Reduced:	N3C12H23 (1)
Stoich.:	A3B12C23 (1)
Weight, g/mol:	303.091572
ΔH_f, kcal/mol:	29.14
Dipole, Da:	1.33
IP(EA), eV:	-8.94(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(7S)-2-methyl-7-(4-methylsulfanylphenyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-5-carboxylic acid

Drug info:

PubChemData

Smile

CC[NH+](CC)CC[NH2+]CC1=CC=NC=C1

DOS

IR

Vibrations