Geometry & MOs

Info

ID:	206748
PubChem CID:	80295226
Reduced:	NO3C9H19 (1)
Stoich.:	AB3C9D19 (1)
Weight, g/mol:	295.135448
ΔH_f, kcal/mol:	-160.97
Dipole, Da:	5.86
IP(EA), eV:	-9.4(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-hydroxypentan-2-ylamino)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(CCCO)NCC(C)C(=O)O

DOS

IR

Vibrations