Geometry & MOs

Info

ID:	78779
PubChem CID:	49720288
Reduced:	SO2N5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	294.148061
ΔH_f, kcal/mol:	-25.24
Dipole, Da:	5.75
IP(EA), eV:	-9.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylquinolin-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(=O)NC2=NC(=C(S2)C(=O)N(C)C)C)C

DOS

IR

Vibrations