Geometry & MOs

Info

ID:	256081
PubChem CID:	103136900
Reduced:	N2C7H10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	270.113506
ΔH_f, kcal/mol:	45.9
Dipole, Da:	4.45
IP(EA), eV:	-7.69(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C)CCCNC1=C2C=NC=CC2=C(C=C1)N

DOS

IR

Vibrations