Geometry & MOs

Info

ID:	43368
PubChem CID:	10321183
Reduced:	N5O5C22H29 (1)
Stoich.:	A5B5C22D29 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	-136.05
Dipole, Da:	2.94
IP(EA), eV:	-8.72(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)cyclopentyl]benzamide

Drug info:

PubChemData

Smile

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CC(=C(C(=C3)OC)OCCCCN)OC

DOS

IR

Vibrations