Geometry & MOs

Info

ID:	285939
PubChem CID:	104138955
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	223.02379
ΔH_f, kcal/mol:	-86.7
Dipole, Da:	6.15
IP(EA), eV:	-8.86(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropylsulfanylthieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)O)NC2CCN(C(C2)C)C

DOS

IR

Vibrations