Geometry & MOs

Info

ID:	205861
PubChem CID:	80166465
Reduced:	NS2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-88.26
Dipole, Da:	5.87
IP(EA), eV:	-9.01(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-(2-methyloxolan-2-yl)-5-phenyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1(CCCO1)C2=NC(=CS2)C3=CC=C(S3)CC(=O)O

DOS

IR

Vibrations