Geometry & MOs

Info

ID:	244463
PubChem CID:	99355622
Reduced:	OSN3H19C21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	428.136366
ΔH_f, kcal/mol:	57.37
Dipole, Da:	5.22
IP(EA), eV:	-8.88(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@@H](C2=CC=CS2)NC(=O)C3=CC=CN4C3=NC=C4

DOS

IR

Vibrations