Geometry & MOs

Info

ID:	415734
PubChem CID:	135088734
Reduced:	ClO2N4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	33.94
Dipole, Da:	6.74
IP(EA), eV:	-9.16(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-2,4-dimethyl-N-(2-quinolin-8-yloxyethyl)-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(CN1CC3=NN=C(O3)C4=CN=CC=C4)C=C(C=C2)Cl

DOS

IR

Vibrations