Geometry & MOs

Info

ID:	127248
PubChem CID:	50996227
Reduced:	O2N4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	342.140199
ΔH_f, kcal/mol:	-22.4
Dipole, Da:	4.41
IP(EA), eV:	-9.11(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclohexylpropan-2-yl)-5-thiophen-2-yl-3H-furo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN(C)C(=O)C2=CC=C(C=C2)C[C@@H]3CC[C@@H](N3)[C@@H](C4=CC=CC=C4)O

DOS

IR

Vibrations