Geometry & MOs

Info

ID:	41725
PubChem CID:	8146977
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	411.131329
ΔH_f, kcal/mol:	26.02
Dipole, Da:	9.25
IP(EA), eV:	-9.22(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(1R)-1-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)C)OCC(=O)NC2=CC=C(C=C2)N3C=NN=N3

DOS

IR

Vibrations