Geometry & MOs

Info

ID:	307421
PubChem CID:	125299897
Reduced:	ClO2N7C24H28 (1)
Stoich.:	AB2C7D24E28 (1)
Weight, g/mol:	383.114903
ΔH_f, kcal/mol:	38.92
Dipole, Da:	2.89
IP(EA), eV:	-8.33(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4aR)-4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl]-5-methylpyrazol-3-yl]-2-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CCCC[C@H]1NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)COC(=O)CN)Cl

DOS

IR

Vibrations