Geometry & MOs

Info

ID:	43182
PubChem CID:	10319205
Reduced:	OF4N7H13C17 (1)
Stoich.:	AB4C7D13E17 (1)
Weight, g/mol:	407.156909
ΔH_f, kcal/mol:	-129.15
Dipole, Da:	3.58
IP(EA), eV:	-8.64(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[(3,3-dimethyl-2-oxobutyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)NCCNC2=NC3=C(C=C(C=C3)F)N4C2=NNC4=O)C(F)(F)F

DOS

IR

Vibrations