Geometry & MOs

Info

ID:	126837
PubChem CID:	50980789
Reduced:	SO2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	373.19026
ΔH_f, kcal/mol:	-43.27
Dipole, Da:	4.42
IP(EA), eV:	-8.52(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CC(=O)NCC2=CSC(=N2)N

DOS

IR

Vibrations