Geometry & MOs

Info

ID:	78628
PubChem CID:	49701084
Reduced:	S2O4N5C20H27 (1)
Stoich.:	A2B4C5D20E27 (1)
Weight, g/mol:	476.253589
ΔH_f, kcal/mol:	-88.59
Dipole, Da:	4.67
IP(EA), eV:	-8.68(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]oxyethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(=O)N2CCN(CC2)C3=NN=C(S3)SCC(=O)NCCOC

DOS

IR

Vibrations