Geometry & MOs

Info

ID:	364027
PubChem CID:	127313698
Reduced:	O2F3N4C14H15 (1)
Stoich.:	A2B3C4D14E15 (1)
Weight, g/mol:	396.136845
ΔH_f, kcal/mol:	-213.54
Dipole, Da:	4.25
IP(EA), eV:	-9.89(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one

Drug info:

PubChemData

Smile

C1CC(NC(=O)C1C(=O)N2CCC3=CN=CN=C3C2)C(F)(F)F

DOS

IR

Vibrations