Geometry & MOs

Info

ID:	74106
PubChem CID:	48421468
Reduced:	SO3N5C18H31 (1)
Stoich.:	AB3C5D18E31 (1)
Weight, g/mol:	320.184841
ΔH_f, kcal/mol:	-126.33
Dipole, Da:	7.1
IP(EA), eV:	-9.05(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,5-dimethylpyrrolidin-1-yl)piperidin-1-yl]-(4-nitro-1H-pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CCN1CCCC1CN(CCC(=O)OCC)C(=O)NC2=NN=C(S2)C(C)C

DOS

IR

Vibrations