Geometry & MOs

Info

ID:	426839
PubChem CID:	135154101
Reduced:	O4N5C21H25 (1)
Stoich.:	A4B5C21D25 (1)
Weight, g/mol:	468.227374
ΔH_f, kcal/mol:	-86.03
Dipole, Da:	5.89
IP(EA), eV:	-8.81(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3-cyanophenoxy)piperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(NC(=NC2=O)COC)N=C1N3CCC(CC3)OC4=CN=C(C=C4)OC

DOS

IR

Vibrations