Geometry & MOs

Info

ID:	383467
PubChem CID:	134975207
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	277.117489
ΔH_f, kcal/mol:	-156.07
Dipole, Da:	4.26
IP(EA), eV:	-10.02(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-1-methyl-5-[3-(4-methyltriazol-1-yl)-2-oxopropyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1CCCC(=O)CCCC(=O)O1

DOS

IR

Vibrations