Geometry & MOs

Info

ID:	331281
PubChem CID:	127248688
Reduced:	FOSN6C22H25 (1)
Stoich.:	ABCD6E22F25 (1)
Weight, g/mol:	422.186652
ΔH_f, kcal/mol:	-3.9
Dipole, Da:	5.1
IP(EA), eV:	-8.75(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC)C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)F)N(C)C

DOS

IR

Vibrations