Geometry & MOs

Info

ID:	125951
PubChem CID:	50945283
Reduced:	SO2N6C19H26 (1)
Stoich.:	AB2C6D19E26 (1)
Weight, g/mol:	250.117824
ΔH_f, kcal/mol:	-36.76
Dipole, Da:	1.84
IP(EA), eV:	-8.54(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-amino-1-methyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N2CCOCC2)NCCNC(=O)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations