Geometry & MOs

Info

ID:	423892
PubChem CID:	135120653
Reduced:	ON6C24H40 (1)
Stoich.:	AB6C24D40 (1)
Weight, g/mol:	372.136845
ΔH_f, kcal/mol:	0.81
Dipole, Da:	4.96
IP(EA), eV:	-8.45(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]-methylamino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCOC2=CC=CC=C2CN(CCN(C)C)CC3=CN=C(N3)C

DOS

IR

Vibrations