Geometry & MOs

Info

ID:	192896
PubChem CID:	78322991
Reduced:	BrO2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	324.129634
ΔH_f, kcal/mol:	-46.45
Dipole, Da:	7.48
IP(EA), eV:	-8.76(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylcyclohexyl)-7-phenylthieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)NC(=O)CCCCCC(=O)NC2=CC(=CN=C2)Br

DOS

IR

Vibrations