Geometry & MOs

Info

ID:	121084
PubChem CID:	50755335
Reduced:	ON7C21H23 (1)
Stoich.:	AB7C21D23 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	88.41
Dipole, Da:	4.71
IP(EA), eV:	-8.88(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC3=C(C4=CC=CC=C4N3CC(=O)N5CCCCC5)N=N2)C

DOS

IR

Vibrations