Geometry & MOs

Info

ID:	347564
PubChem CID:	127272419
Reduced:	N6C15H20 (1)
Stoich.:	A6B15C20 (1)
Weight, g/mol:	368.167083
ΔH_f, kcal/mol:	119.88
Dipole, Da:	5.71
IP(EA), eV:	-8.55(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-anilinopyrrolidin-1-yl)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC1N2C(=NN=N2)CN3CCC(C3)NC4=CC=CC=C4

DOS

IR

Vibrations