Geometry & MOs

Info

ID:	353308
PubChem CID:	127284637
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	378.172562
ΔH_f, kcal/mol:	-116.56
Dipole, Da:	6.5
IP(EA), eV:	-9.09(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[2-(3-methylmorpholin-4-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1COCCN1CCNC(=O)C2CCCN2C(=O)CC3=CC=CC=C3

DOS

IR

Vibrations