Geometry & MOs

Info

ID:	391514
PubChem CID:	135006147
Reduced:	N2O3C30H30 (1)
Stoich.:	A2B3C30D30 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-21.73
Dipole, Da:	2.05
IP(EA), eV:	-9.43(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hexyl-2-phenyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)C2CC(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations