Geometry & MOs

Info

ID:	216212
PubChem CID:	85085897
Reduced:	O3H14C15 (1)
Stoich.:	A3B14C15 (1)
Weight, g/mol:	246.082684
ΔH_f, kcal/mol:	-92.98
Dipole, Da:	2.9
IP(EA), eV:	-9.04(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-phenyl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1C(=O)OC(O1)(C)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations