Geometry & MOs

Info

ID:	149639
PubChem CID:	53789313
Reduced:	PO4C32H33 (1)
Stoich.:	AB4C32D33 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-137.57
Dipole, Da:	3.76
IP(EA), eV:	-9.1(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-oxo-2,6-dipropyl-1H-pyrimidin-5-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC(C(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)P(=O)(CC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations