Geometry & MOs

Info

ID:	191908
PubChem CID:	78200051
Reduced:	ON3C5H6 (2)
Stoich.:	AB3C5D6 (2)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	96.42
Dipole, Da:	3.13
IP(EA), eV:	-9.42(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-butoxyphenyl)-5H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1C(C(NN1)N2C3=CC=CC=C3N=N2)[N+](=O)[O-]

DOS

IR

Vibrations