Geometry & MOs

Info

ID:	132868
PubChem CID:	51435324
Reduced:	ON7H11C15 (1)
Stoich.:	AB7C11D15 (1)
Weight, g/mol:	420.204907
ΔH_f, kcal/mol:	173.16
Dipole, Da:	9.81
IP(EA), eV:	-9.39(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C3C=NN=C3N=CN2N1)OC4=CC=C(C=C4)C#N

DOS

IR

Vibrations