Geometry & MOs

Info

ID:	181819
PubChem CID:	76798762
Reduced:	ClO3N5C20H22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	483.240103
ΔH_f, kcal/mol:	-27.03
Dipole, Da:	3.54
IP(EA), eV:	-9.7(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[3-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]propyl]-1-pentyl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1C2C(CC(=N2)Cl)C(=O)N(C1=O)CCCC3=NOC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations