Geometry & MOs

Info

ID:	366641
PubChem CID:	127320170
Reduced:	ON4C18H28 (1)
Stoich.:	AB4C18D28 (1)
Weight, g/mol:	317.131031
ΔH_f, kcal/mol:	-39.51
Dipole, Da:	8.14
IP(EA), eV:	-9.16(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[1-[methyl(1H-pyrazol-5-ylmethyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)N(C)CC4=CC=NN4

DOS

IR

Vibrations