Geometry & MOs

Info

ID:	192027
PubChem CID:	78215449
Reduced:	O2N5C23H27 (1)
Stoich.:	A2B5C23D27 (1)
Weight, g/mol:	411.146203
ΔH_f, kcal/mol:	-9.69
Dipole, Da:	5.28
IP(EA), eV:	-9.3(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[benzyl(methyl)amino]-7-[(4-chlorophenyl)methyl]-3-methyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3C(N=C2N(C)CC4=CC=CC=C4)N(C(=O)N(C3=O)C)C

DOS

IR

Vibrations