Geometry & MOs

Info

ID:	166337
PubChem CID:	74672766
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	400.187246
ΔH_f, kcal/mol:	-26.18
Dipole, Da:	3.4
IP(EA), eV:	-8.06(0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5H-pyrimidin-3-ium-5-yl]-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate

Drug info:

PubChemData

Smile

C1C[NH+](CC1NC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)CC4=CC=CC=C4

DOS

IR

Vibrations