Geometry & MOs

Info

ID:	132496
PubChem CID:	51370576
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-96.99
Dipole, Da:	3.33
IP(EA), eV:	-9.15(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=N1)C2=CC=C(C=C2)OC)CC(=O)NCCC3=CCCCC3

DOS

IR

Vibrations