Geometry & MOs

Info

ID:	279597
PubChem CID:	103844434
Reduced:	O3N4C12H22 (1)
Stoich.:	A3B4C12D22 (1)
Weight, g/mol:	265.124883
ΔH_f, kcal/mol:	-146.71
Dipole, Da:	4.17
IP(EA), eV:	-9.22(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(N(C(=O)NC1=O)C)N)CO

DOS

IR

Vibrations