Geometry & MOs

Info

ID:	297574
PubChem CID:	117622235
Reduced:	PO6N7C34H38 (1)
Stoich.:	AB6C7D34E38 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	-238.86
Dipole, Da:	3.35
IP(EA), eV:	-8.84(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S)-3-oxo-1-phenylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OP(=O)(OCN1C(=O)C2=CN=C3C=CC(=NC3=C2N(C1=O)C4=CC=C(C=C4)C(C)(C)C#N)C5=CN=C(C=C5)N)OC(C)(C)C

DOS

IR

Vibrations