Geometry & MOs

Info

ID:	192917
PubChem CID:	78324822
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	328.17735
ΔH_f, kcal/mol:	-157.72
Dipole, Da:	1.95
IP(EA), eV:	-9.48(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-(1-adamantylamino)-1,3-dimethylpurin-3-ium-2,6-dione

Drug info:

PubChemData

Smile

CC1CCCC1C2(C(=O)N(C(=O)N2C)CC(=O)C3=CC(=CC=C3)O)C

DOS

IR

Vibrations