Geometry & MOs

Info

ID:	360396
PubChem CID:	127301041
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	-70.09
Dipole, Da:	6.49
IP(EA), eV:	-9.15(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-3-[3-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)CN3C4=CC=CC=C4C(=O)NC3=O

DOS

IR

Vibrations