Geometry & MOs

Info

ID:	214238
PubChem CID:	84974750
Reduced:	O2N3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	416.229779
ΔH_f, kcal/mol:	-17.89
Dipole, Da:	3.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.131169
Charge, e:	1

Chem-info

IUPAC name:

2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5H-pyrimidin-3-ium-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C[NH+](C)C(C)C(=O)NC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations