Geometry & MOs

Info

ID:	78691
PubChem CID:	49703754
Reduced:	FO3N6C25H29 (1)
Stoich.:	AB3C6D25E29 (1)
Weight, g/mol:	452.197217
ΔH_f, kcal/mol:	-88.22
Dipole, Da:	1.52
IP(EA), eV:	-8.9(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-fluorophenyl)-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)F

DOS

IR

Vibrations