Geometry & MOs

Info

ID:	164723
PubChem CID:	74443922
Reduced:	O2N5C19H32 (1)
Stoich.:	A2B5C19D32 (1)
Weight, g/mol:	353.193728
ΔH_f, kcal/mol:	-77.65
Dipole, Da:	3.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.850848
Charge, e:	1

Chem-info

IUPAC name:

2-[8-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCCCN1CC2=NC3=[N+](C(=O)N(C(=O)C3N2CCC(C)C)C)C

DOS

IR

Vibrations