Geometry & MOs

Info

ID:	368062
PubChem CID:	127327132
Reduced:	FO2N4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	297.093583
ΔH_f, kcal/mol:	-40.94
Dipole, Da:	3.86
IP(EA), eV:	-9.31(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-cyclopropylpyridazin-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC3=NN=C(C=C3)C4CC4

DOS

IR

Vibrations