Geometry & MOs

Info

ID:	125261
PubChem CID:	50917434
Reduced:	ON7C21H21 (1)
Stoich.:	AB7C21D21 (1)
Weight, g/mol:	410.091246
ΔH_f, kcal/mol:	96.7
Dipole, Da:	4.66
IP(EA), eV:	-8.81(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)NC3=NC(=C(C=C3)C#N)NC(C)C)OCC#N

DOS

IR

Vibrations