Geometry & MOs

Info

ID:	331282
PubChem CID:	127248689
Reduced:	FO2N6C22H23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	436.202302
ΔH_f, kcal/mol:	-22.93
Dipole, Da:	4.16
IP(EA), eV:	-9.01(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)N(C)C

DOS

IR

Vibrations