Geometry & MOs

Info

ID:	426825
PubChem CID:	135154085
Reduced:	O3N7C22H25 (1)
Stoich.:	A3B7C22D25 (1)
Weight, g/mol:	468.227374
ΔH_f, kcal/mol:	10.84
Dipole, Da:	6.51
IP(EA), eV:	-8.83(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)NCC4=CN=NC=C4

DOS

IR

Vibrations