Geometry & MOs

Info

ID:	34083
PubChem CID:	7889751
Reduced:	ClN2O3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	344.137222
ΔH_f, kcal/mol:	-82.0
Dipole, Da:	2.22
IP(EA), eV:	-9.6(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(3-methoxy-3-oxopropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] pyridine-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=NC=C2

DOS

IR

Vibrations