Geometry & MOs

Info

ID:	262925
PubChem CID:	103329767
Reduced:	OSN5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	305.131031
ΔH_f, kcal/mol:	16.35
Dipole, Da:	6.27
IP(EA), eV:	-8.28(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CCNC1=NC(=C2C=CSC2=N1)NC(C)C(=O)NC3CC3

DOS

IR

Vibrations