Geometry & MOs

Info

ID:	185832
PubChem CID:	77356389
Reduced:	SiO5C34H46 (1)
Stoich.:	AB5C34D46 (1)
Weight, g/mol:	713.347824
ΔH_f, kcal/mol:	-260.21
Dipole, Da:	6.54
IP(EA), eV:	-8.91(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-butyl-3,3-dimethyl-6-[[4-phenyl-3-(1-trityltetrazol-5-yl)phenyl]methyl]-6,7-dihydro-1H-imidazo[1,2-a]pyrimidine-2,5-dione

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3C(CC4C3CC(=CCCC(=O)O)C4)OC5CCCCO5

DOS

IR

Vibrations