Geometry & MOs

Info

ID:	421696
PubChem CID:	135116439
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	366.151433
ΔH_f, kcal/mol:	2.19
Dipole, Da:	1.89
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylquinolin-2-yl)sulfanyl-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)NCC2=COC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations