Geometry & MOs

Info

ID:	270706
PubChem CID:	103637763
Reduced:	SO2N5C12H17 (1)
Stoich.:	AB2C5D12E17 (1)
Weight, g/mol:	262.125218
ΔH_f, kcal/mol:	68.34
Dipole, Da:	4.8
IP(EA), eV:	-8.93(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclopropyl-N'-ethyl-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCNC1=C(N2C=CSC2=N1)[N+](=O)[O-])C3CC3

DOS

IR

Vibrations