Geometry & MOs

Info

ID:	42293
PubChem CID:	8149403
Reduced:	NO2C23H31 (1)
Stoich.:	AB2C23D31 (1)
Weight, g/mol:	291.050004
ΔH_f, kcal/mol:	-69.15
Dipole, Da:	2.96
IP(EA), eV:	-8.49(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1C[C@@H](CO[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)C)O

DOS

IR

Vibrations