Geometry & MOs

Info

ID:	192989
PubChem CID:	78332728
Reduced:	O3N5C19H27 (1)
Stoich.:	A3B5C19D27 (1)
Weight, g/mol:	413.24269
ΔH_f, kcal/mol:	-92.03
Dipole, Da:	2.09
IP(EA), eV:	-8.92(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-ethoxyphenyl)-1,7-dimethyl-3-(2-methylprop-2-enyl)-6,7,8,9a,10,10a-hexahydro-4aH-purino[7,8-a]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CCCN3C2NC4C3C(=O)N(C(=O)N4C)CCCO

DOS

IR

Vibrations