Geometry & MOs

Info

ID:	48996
PubChem CID:	11528596
Reduced:	NC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	212.138148
ΔH_f, kcal/mol:	98.24
Dipole, Da:	2.7
IP(EA), eV:	-9.14(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dideuterio-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid

Drug info:

PubChemData

Smile

C1CN=C(N1)C2=CC=CC=C2N3C=CC=N3

DOS

IR

Vibrations