Geometry & MOs

Info

ID:	185587
PubChem CID:	77317135
Reduced:	F2O6C29H38 (1)
Stoich.:	A2B6C29D38 (1)
Weight, g/mol:	314.120132
ΔH_f, kcal/mol:	-363.01
Dipole, Da:	2.07
IP(EA), eV:	-10.06(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(methylamino)-4-[4-(5-methylpyridin-3-yl)thiophen-2-yl]-1,5-dihydropyrimidin-6-one

Drug info:

PubChemData

Smile

CC(C)CCC(C(=O)CCC1C(CC(=O)C1CC=CCCCC(=O)OCC(=O)C2=CC=CC=C2)O)(F)F

DOS

IR

Vibrations