Geometry & MOs

Info

ID:	192727
PubChem CID:	78304733
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	399.190654
ΔH_f, kcal/mol:	-47.54
Dipole, Da:	4.49
IP(EA), eV:	-9.38(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxypropyl)-6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

Drug info:

PubChemData

Smile

CN1C2C(C(=O)NC1=O)N(C(=N2)NCCO)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations