Geometry & MOs

Info

ID:	306256
PubChem CID:	125003349
Reduced:	OSN6C22H32 (1)
Stoich.:	ABC6D22E32 (1)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	-12.65
Dipole, Da:	7.5
IP(EA), eV:	-8.87(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-[(2R)-1-[2-(5-methylthiophen-2-yl)acetyl]pyrrolidin-2-yl]pyridin-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CCCC1=CC(=NC(=N1)C2CCN(CC2)C(=O)[C@]3(CCCN3)C)NC4=NC=C(S4)C

DOS

IR

Vibrations