Geometry & MOs

Info

ID:	56612
PubChem CID:	17487187
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	415.244421
ΔH_f, kcal/mol:	-59.55
Dipole, Da:	5.52
IP(EA), eV:	-8.81(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,7-bis(2-methylpropyl)purine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=CC=C(C=C2)CNCC(=O)NC(C)C

DOS

IR

Vibrations