Geometry & MOs

Info

ID:	166959
PubChem CID:	74758367
Reduced:	O3N5C20H29 (1)
Stoich.:	A3B5C20D29 (1)
Weight, g/mol:	443.277064
ΔH_f, kcal/mol:	-100.61
Dipole, Da:	2.23
IP(EA), eV:	-8.79(0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

9-(3-methoxyphenyl)-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-6,7,8,9a,10,10a-hexahydro-4aH-purino[7,8-a]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2CCCN3C2NC4C3C(=O)N(C(=O)N4C)CCCO)C

DOS

IR

Vibrations