Geometry & MOs

Info

ID:	297920
PubChem CID:	117636471
Reduced:	ON2F4H14C17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	524.228437
ΔH_f, kcal/mol:	-208.91
Dipole, Da:	6.98
IP(EA), eV:	-8.13(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-[2-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(C2=C1C=C(C=C2)N)C(=O)CC3=CC(=CC(=C3)F)C(F)(F)F

DOS

IR

Vibrations