Geometry & MOs

Info

ID:	182428
PubChem CID:	76888286
Reduced:	ClO2N5C12H12 (1)
Stoich.:	AB2C5D12E12 (1)
Weight, g/mol:	387.20323
ΔH_f, kcal/mol:	8.09
Dipole, Da:	13.15
IP(EA), eV:	-9.18(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=O)NCCNC2=CN=NC(=O)C2Cl

DOS

IR

Vibrations