Geometry & MOs

Info

ID:	364993
PubChem CID:	127316643
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	5.19
Dipole, Da:	5.12
IP(EA), eV:	-9.4(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)N3CCCC(C3)(C)C4=CC=CC=C4

DOS

IR

Vibrations