Geometry & MOs

Info

ID:	126363
PubChem CID:	50962270
Reduced:	ClOSN4H15C16 (1)
Stoich.:	ABCD4E15F16 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	39.25
Dipole, Da:	5.89
IP(EA), eV:	-8.77(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-methyl-5-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN2C(=CC(=N2)C(=O)NCC3=C(C4=CC=CC=C4S3)Cl)CN1

DOS

IR

Vibrations