Geometry & MOs

Info

ID:	70883
PubChem CID:	48413995
Reduced:	BrO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	348.104482
ΔH_f, kcal/mol:	-33.87
Dipole, Da:	4.61
IP(EA), eV:	-9.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations