Geometry & MOs

Info

ID:	138200
PubChem CID:	52327230
Reduced:	NO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	364.123206
ΔH_f, kcal/mol:	-125.85
Dipole, Da:	5.19
IP(EA), eV:	-9.11(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-amino-6-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-1-ium-3-ylidene]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3CCCCC3

DOS

IR

Vibrations