Geometry & MOs

Info

ID:	359056
PubChem CID:	127297300
Reduced:	SO3N4C18H30 (1)
Stoich.:	AB3C4D18E30 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	-121.34
Dipole, Da:	4.54
IP(EA), eV:	-8.84(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methyl-5-oxopyrrolidin-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1(CN(CCO1)CCNC2=C(C=CC=N2)S(=O)(=O)N3CCCCC3)C

DOS

IR

Vibrations