Geometry & MOs

Info

ID:	78629
PubChem CID:	49703242
Reduced:	O3N6C26H32 (1)
Stoich.:	A3B6C26D32 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-51.2
Dipole, Da:	7.73
IP(EA), eV:	-8.93(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C(C)N3C(=O)C=CC(=N3)C4=CC=C(C=C4)C

DOS

IR

Vibrations