Geometry & MOs

Info

ID:	142444
PubChem CID:	53034959
Reduced:	SN3O3H21C25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	25.8
Dipole, Da:	4.45
IP(EA), eV:	-8.99(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=C(C=C2)C3=NOC(=N3)COC4=CC=CC=C4)SC5=CC=CC=C5C1=O

DOS

IR

Vibrations