Geometry & MOs

Info

ID:	243223
PubChem CID:	99217215
Reduced:	O2N5H25C26 (1)
Stoich.:	A2B5C25D26 (1)
Weight, g/mol:	443.141596
ΔH_f, kcal/mol:	24.59
Dipole, Da:	2.68
IP(EA), eV:	-8.93(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC(=O)N4CCCC5=CC=CC=C54)C

DOS

IR

Vibrations