Geometry & MOs

Info

ID:	43843
PubChem CID:	10321871
Reduced:	N3O5H23C26 (1)
Stoich.:	A3B5C23D26 (1)
Weight, g/mol:	457.208945
ΔH_f, kcal/mol:	-81.17
Dipole, Da:	3.32
IP(EA), eV:	-8.85(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=C(N=C3C=C(NN3C2=O)C(=O)O)C4=CC=C(C=C4)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations