Geometry & MOs

Info

ID:	192563
PubChem CID:	78286793
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	385.223966
ΔH_f, kcal/mol:	-80.13
Dipole, Da:	12.8
IP(EA), eV:	-8.28(0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-amino-5-[2-(azocan-1-yl)acetyl]-1-benzyl-3-methyl-5H-pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=[N+](C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCCCCCC3

DOS

IR

Vibrations