Geometry & MOs

Info

ID:	350803
PubChem CID:	127279091
Reduced:	ON7C20H29 (1)
Stoich.:	AB7C20D29 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	27.41
Dipole, Da:	5.15
IP(EA), eV:	-8.82(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CN2CCN(CC2)C3=NC(=CN=C3)N4C=CC=N4

DOS

IR

Vibrations